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Results for "

Subtype selectivity

" in MedChemExpress (MCE) Product Catalog:

By Targets:	17β-HSD (1) 5-HT Receptor (12) Adenosine Receptor (7) Adrenergic Receptor (30) Akt (2) Angiotensin Receptor (2) Apoptosis (2) Autophagy (1) Bombesin Receptor (4) Calcium Channel (3) Cannabinoid Receptor (2) Carbonic Anhydrase (2) Casein Kinase (1) CDK (1) CXCR (1) Cyclophilin (3) Cytochrome P450 (3) DNA/RNA Synthesis (2) Dopamine Receptor (7) Drug Derivative (1) EGFR (1) ELOVL (1) Endogenous Metabolite (7) Endothelin Receptor (1) Epigenetic Reader Domain (2) ERK (2) Estrogen Receptor/ERR (2) Fatty Acid Synthase (FASN) (1) Fluorescent Dye (1) FOXO (1) GABA Receptor (18) Glucokinase (1) HDAC (8) Histamine Receptor (12) Histone Acetyltransferase (1) Histone Methyltransferase (1) IFNAR (1) iGluR (9) IKK (1) Influenza Virus (2) Integrin (3) Interleukin Related (3) IRAK (1) Isotope-Labeled Compounds (7) JAK (2) JNK (1) Ligands for E3 Ligase (1) LPL Receptor (9) mAChR (16) Melatonin Receptor (5) mGluR (20) Molecular Glues (1) nAChR (22) Neurokinin Receptor (1) Neuropeptide FF Receptor (1) Neuropeptide Y Receptor (1) Neurotensin Receptor (3) NF-κB (1) NO Synthase (1) NOD-like Receptor (NLR) (1) Opioid Receptor (6) Orphan GPCR (1) P2X Receptor (2) P2Y Receptor (5) p38 MAPK (2) PARP (1) PERK (1) Phosphodiesterase (PDE) (9) PKC (1) Potassium Channel (9) PPAR (3) Prostaglandin Receptor (5) PROTACs (2) Protease Activated Receptor (PAR) (1) RAR/RXR (1) Reactive Oxygen Species (ROS) (1) Reference Standards (27) Renin (3) Ribosomal S6 Kinase (RSK) (1) Ser/Thr Protease (1) Serotonin Transporter (1) Sigma Receptor (2) Sirtuin (2) Sodium Channel (16) Somatostatin Receptor (11) SphK (1) STAT (1) Thrombin (1) Thyroid Hormone Receptor (1) TNF Receptor (3) Trace Amine-associated Receptor (TAAR) (1) TRP Channel (2) Vasopressin Receptor (2) VEGFR (1) YAP (3)
By Research Areas:	Cancer (46) Cardiovascular Disease (38) Endocrinology (28) Infection (3) Inflammation/Immunology (50) Metabolic Disease (31) Neurological Disease (158)
Click Chemistry:	Alkynes (1)

289

Inhibitors & Agonists

Screening Libraries

Peptides

Natural
Products

Isotope-Labeled Compounds

Click Chemistry

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-101254

Luzindole 15+ Cited Publications N-0774	Melatonin Receptor	Neurological Disease
Luzindole (N-0774) is a selective melatonin receptor antagonist. Luzindole preferentially targets MT2 (Mel_1b) over MT1 (Mel_1a) with K_i values of 10.2 and 158 nM for human MT2 and MT1, respectively. Luzindole suppresses experimental autoimmune encephalomyelitis (EAE), and exerts antidepressant-like activity .

HY-N0584

Anisodamine 6-Hydroxyhyoscyamine	mAChR	Neurological Disease Cancer
Anisodamine (6-Hydroxyhyoscyamine), a belladonna alkaloid, is a non-subtype-selective muscarinic, and also a nicotinic cholinoceptor antagonist. Anisodamine employs in traditional Chinese medicine for many ailments, mainly to improve the microcirculation in states of shock, and also in organophosphate poisoning .

HY-128770

LY3154207 2 Publications Verification	Dopamine Receptor	Neurological Disease
LY3154207 is a potent, subtype selective, and orally available human dopamine D1 receptor positive allosteric modulator (PAM) with minimal allosteric agonist activity (EC₅₀=3 nM) .

HY-15688

8-OH-DPAT hydrobromide 5+ Cited Publications 8-Hydroxy-DPAT hydrobromide	5-HT Receptor	Neurological Disease Metabolic Disease
8-OH-DPAT (8-Hydroxy-DPAT) hydrobromide is a potent, brain-penetrant and selective 5-HT_1A agonist with a pIC₅₀ of 8.19. 8-OH-DPAT hydrobromide has selectivity of almost 1000 fold for a subtype of the 5-HT₁ binding site .

HY-14277A

Levocabastine hydrochloride R 50547 hydrochloride	Histamine Receptor Neurotensin Receptor Integrin	Inflammation/Immunology
Levocabastine (R 50547) hydrochloride is a potent and selective histamine H1-receptor antagonist. Levocabastine hydrochloride is also a selective, high affinity *neurotensin receptor subtype* 2 (NTR2) antagonist, with a K_i of 17 nM for mNTR2. Levocabastine hydrochloride can act as a VLA-4** antagonist, interferes with conjunctival eosinophil infiltration in allergic conjunctivitis (AC) .

HY-109085

Difamilast 3 Publications Verification OPA-15406	Phosphodiesterase (PDE)	Neurological Disease Inflammation/Immunology Cancer
Difamilast (OPA-15406) is a topical, selective and nonsteroidal phosphodiesterase-4 (PDE4) inhibitor with particularly efficient inhibition of subtype B (IC₅₀=11.2 nM). Difamilast can be used for the research of mild to moderate atopic dermatitis (AD) .

HY-14342

MK-5046 2 Publications Verification	Bombesin Receptor	Metabolic Disease
MK-5046 is a potent, selective and orally active Bombesin receptor subtype-3 (BRS-3) allosteric agonist with an IC₅₀ and an EC₅₀ value of 27 and 25 nM for hBRS-3, respectively. MK-5046 inhibits food intake and reduces body weight of diet-induced obese (DIO) mouse models. MK-5046 can be used for the research of obesity .

HY-108710

VU0650786 2 Publications Verification	mGluR	Neurological Disease
VU0650786 is a potent and selective CNS penetrant negative allosteric modulator of *metabotropic glutamate receptor subtype* 3 (mGlu3 NAM), with an IC₅₀** of 392 nM. VU0650786 has antidepressant and anxiolytic activity in rodents .

HY-17015

Peramivir trihydrate 10+ Cited Publications RWJ 270201 trihydrate; BCX 1812 trihydrate	Influenza Virus IKK JNK STAT p38 MAPK ERK	Infection Inflammation/Immunology
Peramivir trihydrate (RWJ-270201 trihydrate) is a highly potent, selective and orally active influenza virus neuraminidase (NA) inhibitor, with IC₅₀ values ranging from 0.9 to 4.3 nM for nine NA subtypes .

HY-103505

CL 218872	GABA Receptor	Neurological Disease
CL 218872 is an orally active and selective ligand for the benzodiazepine receptor subtype BZ₁. CL 218872 exhibits anxiolytic, sedative and anticonvulsant activities. CL 218872 can be used in researches of anxiety related disorders and epilepsy .

HY-133012

GFB-8438	TRP Channel	Neurological Disease
GFB-8438 is a potent and subtype selective TRPC5 inhibitor, with IC₅₀s of 0.18 and 0.29 μM of hTRPC5 and hTRPC4, respectively. GFB-8438 shows excellent selectivity against TRPC6, other TRP family members, NaV 1.5, as well as limited activity against the hERG channel. GFB-8438 protects mouse podocytes from injury induced by protamine sulfate model .

HY-12811

PF-04856264 1 Publications Verification	Sodium Channel	Neurological Disease
PF-04856264 is a potent and selective Nav1.7 inhibitor, with IC₅₀s of 28, 131, 19, and 42 nM for human, mouse, cynomolgus monkey and dog Nav1.7, respectively. PF-04856264 has low potency against the rat Nav1.7 channel. PF-04856264 shows analgesic effect .

HY-101640

TPA 023	GABA Receptor	Neurological Disease
TPA 023 is a GABAA α2/α3 subtype-selective agonist, with K_i of 0.19-0.41 nM.

HY-N0584A

Anisodamine hydrobromide 6-Hydroxyhyoscyamine hydrobromide	mAChR	Inflammation/Immunology Cancer
Anisodamine hydrobromide (6-Hydroxyhyoscyamine hydrobromide), a belladonna alkaloid, is a non-subtype-selective muscarinic and a nicotinic cholinoceptor antagonist. Anisodamine hydrobromide shows antioxidant, anti-inflammatory properties .

HY-102037

SSTR5 antagonist 1	Somatostatin Receptor	Metabolic Disease Endocrinology
SSTR5 antagonist 1 (compound 25a) is a selective and orally available somatostatin receptor subtype 5 (SSTR5) antagonist with IC₅₀s of 9.6 and 57 nM for hSSTR5 and mSSTR5, respectively .

HY-117960

Orismilast LEO-32731	Phosphodiesterase (PDE)	Inflammation/Immunology
Orismilast (LEO-32731) is an orally active and selective PDE4 inhibitor used for the research of inflammatory diseases. Orismilast demonstrates potent inhibition of PDE4B and PDE4D subtype splice variants .

HY-107457

AZD-8529 1 Publications Verification	mGluR	Neurological Disease
AZD-8529 is a potent, highly selective and orally bioavailable positive allosteric modulator of mGluR2, with an EC₅₀ of 285 nM, and shows no positive allosteric modulator responses at 20-25 M on the mGluR1, 3, 4, 5, 6, 7, and 8 subtypes.

HY-122560A

VU0134992 hydrochloride 4 Publications Verification	Potassium Channel	Cardiovascular Disease
VU0134992 hydrochloride is the first subtype-preferring, orally active and selective Kir4.1 potassium channel pore blocker, with an IC₅₀ of 0.97 µM. VU0134992 hydrochloride is 9-fold selective for homomeric Kir4.1 over Kir4.1/5.1 concatemeric channels (IC₅₀=9 µM) at -120 mV .

HY-122560

VU0134992 4 Publications Verification	Potassium Channel	Cardiovascular Disease
VU0134992 is the first subtype-preferring, orally active and selective Kir4.1 potassium channel pore blocker, with an IC₅₀ of 0.97 µM. VU0134992 is 9-fold selective for homomeric Kir4.1 over Kir4.1/5.1 concatemeric channels (IC₅₀=9 µM) at -120 mV .

HY-14567

Ciproxifan FUB-359	Histamine Receptor	Neurological Disease Endocrinology
Ciproxifan (FUB 359) is a potent, selective, orally bioavailable and competitive antagonist of histamine H₃-receptor, with an IC₅₀ of 9.2 nM. Ciproxifan displays low apparent affinity at other receptor subtypes. Ciproxifan can be used for the research of aging disorders and Alzheimer's disease .

HY-101308A

MRS2179 tetrasodium hydrate 2 Publications Verification	P2Y Receptor	Cardiovascular Disease
MRS2179 tetrasodium hydrate is a competitive P2Y1 receptor antagonist, with a K_b of 102 nM and a pA₂ of 6.99 for turkey P2Y1 receptor. MRS2179 tetrasodium hydrate is selective for P2Y1 over P2X1 (IC₅₀=1.15 µM), P2X3 (12.9 µM), P2X2, P2X4, P2Y2, P2Y4, and P2Y6 receptors . MRS2179 tetrasodium hydrate inhibits platelet aggregation .

HY-19630

ML289 VU0463597	mGluR	Neurological Disease
ML289 (VU0463597) is a potent, selective, and CNS-penetrant mGlu3 (IC₅₀=0.66 μM) negative allosteric modulator. ML289 displays >15-fold selectivity over mGlu2 and is inactive against mGlu5 . ML289 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

HY-12439

ML380 1 Publications Verification	mAChR	Neurological Disease
ML380 is a potent, subtype-selective, and brain-penetrant positive allosteric modulator (PAM) of M5 mAChR, with EC₅₀s of 190 and 610 nM for human and rat M5, respectively. ML380 exhibits moderate selectivity versus the M1 and M3 mAChR subtypes. ML380 could increase the affinity of ACh for the M5 mAChR .

HY-101869

MK-0343 MRK-409	GABA Receptor	Neurological Disease
MK0343 (MRK-409) is an orally bioavailable GABA_A receptor subtype-selective partial agonist. MK0343 is a non-sedating anxiolytic .

HY-114191B

SSTR5 antagonist 2 hydrochloride	Somatostatin Receptor	Metabolic Disease Endocrinology
SSTR5 antagonist 2 hydrochloride is a highly potent, oral active and selective somatostatin (receptor) subtype 5 (SSTR5) antagonist and has potential for the research of type 2 diabetes mellitus (T2DM) .

HY-162618

PSB-KK1445	Cannabinoid Receptor	Neurological Disease
PSB-KK1445 is a potent and selective GPR18 agonist with EC₅₀s of 45.4 nM and 124 nM for human and mouse GPR18, respectively. PSB-KK1445 displays >200-fold selectivity versus both CB receptor subtypes, GPR55, and GPR183 .

HY-P1221A

ProTx II TFA	Sodium Channel	Neurological Disease
ProTx II TFA is a selective blocker of Nav1.7 sodium channels with an IC₅₀ of 0.3 nM, and is at least 100-fold selective for Nav1.7 over other sodium channel subtypes. ProTx-II inhibits sodium channels by decreasing channel conductance and shifting activation to more positive potentials and blocks action potential propagation in nociceptors .

HY-15289

Ciproxifan maleate FUB 359 maleate	Histamine Receptor	Neurological Disease Endocrinology
Ciproxifan maleate (FUB 359 maleate) is a potent, selective, orally bioavailable and competitive antagonist of histamine H₃-receptor, with an IC₅₀ of 9.2 nM. Ciproxifan maleate displays low apparent affinity at other receptor subtypes. Ciproxifan maleate can be used for the research of aging disorders and Alzheimer's disease .

HY-163317A

MMC(TMZ)-TOC TFA	Somatostatin Receptor	Cancer
MMC(TMZ)-TOC TFA has high binding affinity and selectivity for somatostatin receptor subtype-2 (SSTR2). MMC(TMZ)-TOC TFA targets delivery of TMZ to SSTR2-positive tumor cells. MMC(TMZ)-TOC TFA can be used for the research of cancer .

HY-108498

L-817818	Somatostatin Receptor	Endocrinology
L-817818 is a potent and subtype-selective agonist of the somatostatin receptor. L-817818 provides a direct approach to defining somatostatin receptor physiological functions

HY-150727

SIRT5 inhibitor 4 1 Publications Verification	Sirtuin	Cancer
SIRT5 inhibitor 4 (compound 11) is a potent, selective SIRT5 inhibitor with IC₅₀ values of 26.4 and >400μM for SIRT5 and other SIRT subtype, respectively .

HY-15072

Zonampanel YM 872	iGluR	Metabolic Disease
Zonampanel (YM 872) is a selective antagonist of the glutamate receptor subtype, α-amino-3-hydroxy-5-methylisoxazole-4-propionic acid (AMPA) receptor.

HY-103183

CV1808 2-Phenylaminoadenosine	Adenosine Receptor Endogenous Metabolite	Inflammation/Immunology
CV1808 (2-Phenylaminoadenosine) is a non-selective A2 adenosine receptor (A2 AR) agonist with K_is of 76 and 1450 nM for A2A and A3 adenosine receptor subtypes, respectively .

HY-110131

A 85380 hydrochloride	nAChR	Neurological Disease
A 85380 hydrochloride is a novel, high affinity neuronal nicotinic acetylcholine receptor (nAChR) agonist. A 85380 hydrochloride exhibits selectivity for the α4β2 nAChR subtypes. A 85380 hydrochloride has a broad-spectrum analgesic profile .

HY-101079

BRL 52537 hydrochloride	Opioid Receptor	Neurological Disease
BRL 52537 hydrochloride is a highly selective κ-Opioid receptor (KOR) agonist with K_is of 0.24 nM and 1560 nM for κ and μ subtypes, respectively. BRL 52537 hydrochloride decreases ischemia-evoked NO production as a potential mechanism of neuroprotection. BRL 52537 hydrochloride attenuates early stroke damage .

HY-11048

NS11394 3 Publications Verification	GABA Receptor	Neurological Disease
NS11394 is an orally active and unique subtype-selective GABA_A positive allosteric receptor (PAM), with a K_i of ~0.5 nM. NS11394 shows a selectivity profile in the order of GABA_A-5 > α3 > α2 > α1-containing receptors. NS11394 has anxiolytic and anti-inflammatory properties .

HY-142868

ONO-8713	Prostaglandin Receptor	Neurological Disease
ONO-8713 is a selective *prostaglandin E receptor subtype* EP1** antagonist.

HY-123414

GX-936 PF-05196233	Sodium Channel	Neurological Disease
GX-936 (PF-05196233), a potent and *Nav1.7*-subtype selective inhibitor, binds to the activated state of voltage-sensor domain IV (VSD4) .

HY-164964

TRV045	LPL Receptor	Neurological Disease
TRV045 is a selective Sphingosine-1-phosphate subtype 1 receptor agonist with no effect on lymphocyte transport. TRV045 has antiepileptic activity .

HY-107713

PPDA	iGluR	Neurological Disease
PPDA is a subtype-selective NMDA receptor antagonist that preferentially binds to NR2C/NR2D containing receptors .

HY-111271A

L 888607 Racemate	Prostaglandin Receptor	Inflammation/Immunology Endocrinology
L 888607 Racemate is a selective prostaglandin D₂ receptor subtype 1 (DP1) antagonist, with K_is of 132 nM and 17 nM for DP1 and thromboxane A2 receptor (TP), respectively.

HY-15393

VU 0357121	mGluR	Neurological Disease
VU 0357121 is a positive and highly selective mGlu5R allosteric modulator (PAM) with an EC₅₀ of 33 nM. VU 0357121 is inactive or very weakly antagonizing at other mGlu receptor subtypes .

HY-102094

(E/Z)-SIB-1893	mGluR	Neurological Disease
(E/Z)-SIB-1893 is a racemic compound of (E)-SIB-1893 and (Z)-SIB-1893 isomers. (E)-SIB-1893 is a selective non-competitive metabotropic glutamate subtype 5 receptor (mGluR5) antagonist .

HY-107457A

AZD-8529 mesylate 1 Publications Verification	mGluR	Neurological Disease
AZD-8529 mesylate is a potent, highly selective and orally bioavailable positive allosteric modulator of mGluR2, with an EC₅₀ of 285 nM, and shows no positive allosteric modulator responses at 20-25 M on the mGluR1, 3, 4, 5, 6, 7, and 8 subtypes .

HY-P1221

ProTx II	Sodium Channel	Neurological Disease
ProTx II is a selective blocker of Nav1.7 sodium channels with an IC₅₀ of 0.3 nM, and is at least 100-fold selective for Nav1.7 over other sodium channel subtypes. ProTx-II inhibits sodium channels by decreasing channel conductance and shifting activation to more positive potentials and blocks action potential propagation in nociceptors .

HY-103229

Cl-HIBO	iGluR	Neurological Disease
Cl-HIBO is a highly subtype-selective GluR1/2 agonist (EC₅₀=4.7 and 1.7 μM, respectively). Cl-HIBO is a potent AMPA receptor agonist (IC₅₀=0.22 μM). Cl-HIBO has desensitizing properties .

HY-150692

Estrogen receptor α antagonist 1	Estrogen Receptor/ERR	Cancer
Estrogen receptor α antagonist 1 (compound 35) is a highly selective antagonist of estrogen receptor α, with IC₅₀s of 0.02, 6.55 and 7.73 μM for estrogen receptor α, estrogen receptor β and MCF-7 cells, respectively. Estrogen receptor α antagonist 1 can be used for the research of cancer .

HY-101308

MRS2179 tetrasodium	P2Y Receptor	Cardiovascular Disease
MRS2179 tetrasodium is a competitive P2Y1 receptor antagonist, with a K_b of 102 nM and a pA₂ of 6.99 for turkey P2Y1 receptor. MRS2179 tetrasodium is selective for P2Y1 over P2X1 (IC₅₀=1.15 µM), P2X3 (12.9 µM), P2X2, P2X4, P2Y2, P2Y4, and P2Y6 receptors . MRS2179 tetrasodium inhibits platelet aggregation .

HY-101281A

(Rac)-VU 6008667	mAChR	Neurological Disease
(Rac)-VU 6008667 is a selective negative allosteric modulator of muscarinic acetylcholine receptor subtype 5 (M5 NAM) (IC₅₀=1.8 μM, pIC₅₀= 5.75), has high CNS penetration .

HY-14277

Levocabastine R 50547	Histamine Receptor Neurotensin Receptor Integrin	Inflammation/Immunology
Levocabastine (R 50547) is a potent and selective histamine H1-receptor antagonist. Levocabastine hydrochloride is also a selective, high affinity *neurotensin receptor subtype* 2 (NTR2) antagonist, with a K_i of 17 nM for mNTR2. Levocabastine can act as a VLA-4** antagonist, interferes with conjunctival eosinophil infiltration in allergic conjunctivitis (AC) .

Cat. No.	Product Name

HY-L159

Highly Selective Activators Library

2,056 compounds

Agonistic drugs activate or stimulate their receptors, triggering responses that increase or decrease cell activity. The highly selective activators can act on specific biological or molecular targets, while non-selective activators may interfere with multiple targets or targets simultaneously. The highly selective activators reduce the likelihood of these non-specific effects by targeting specific targets, making research more precise and reliable. The Highly Selective Activators Library contains 2,056 compounds, covering multiple targets and subtypes, such as GPCR protein family, Ion channel, multiple kinases, etc. The Highly Selective Activators Library is an effective tool for screening different phenotypes.

HY-L158

Highly Selective Inhibitors Library

6,080 compounds

According to reports, most known kinase inhibitors exert their effects through competitive binding in highly conserved ATP pockets. Although genetic techniques such as RNA interference can inactivate specific genes, most kinases are multi domain proteins, each of which has an independent function. Highly selective inhibitors have higher efficiency than non-selective inhibitors, and the selectivity to the target is at least 100 times higher. Therefore, ensuring the validation of targets with the most selective inhibitors is crucial for a more thorough understanding of the pharmacology of the kinase field. The Highly Selective Inhibitors Library contains 6,080 compounds, covering multiple targets and subtypes, such as GPCR protein family, Ion channel, multiple kinases, etc. The Highly Selective Inhibitors Library is an effective tool for screening different phenotypes

HY-L170

Allosteric Modulators (AMs) Compound Library

246 compounds

An emerging drug design method is based on the secondary binding site effect, where small molecule drugs are designed to bind to secondary binding sites on target biomolecules rather than primary orthomorphic sites. Successful potential drugs (known as allosteric modulators) will be able to bind to allosteric sites and remotely alter (or modify) the conformation of the main orthosteric binding sites of biological targets. Allosteric modulators (AMs) are ligands of proteins that act through binding sites different from natural (orthosteric) ligand sites. AMs are relatively small, more lipophilic, and more rigid compounds. The binding efficacy of AMs with their targets is often slightly lower. AMs are divided into positive AMs (PAMs) and negative AMs (NAMs). AMs are ideal drug targets because they can fine-tune receptor activity while preserving the spatial and temporal signal transduction characteristics of endogenous ligands, resulting in fewer targeted side effects, improved subtype selectivity, and better promotion of biased signal transduction than normal ligands.

MCE designs a unique collection of 246 small allosteric modulators. It is a good tool to be used for research on metabolize, cancer and other diseases.

HY-L941

Allosteric Modulator Lead‑like Compound Library

4315 compounds

Owing to the high conservation of orthosteric sites, conventional orthosteric drugs frequently suffer from poor subtype selectivity, off-target toxicity, and drug resistance, severely restricting their clinical application. In contrast, allosteric sites feature low conservation, high hydrophobicity, weak polarity, confined spatial geometry, and dynamic cryptic properties. These characteristics endow allosteric modulators with distinct advantages including high selectivity, functional tunability, and improved safety, making allosteric therapy a key direction in modern drug discovery.

MCE has curated nearly 1,000 structurally disclosed clinical-stage allosteric modulators. By analyzing allosteric protein–ligand complex structures from the PDB database, we extracted core pharmacophores and privileged scaffolds. Adopting a rational design strategy of “scaffold derivation + allosteric physicochemical filtering”, we performed secondary screening on the derived compounds strictly following the optimal physicochemical principles for allosteric binding based on universal allosteric pocket properties: molecular weight 300–500 Da, HBD ≤ 3, HBA = 3–8, PSA = 70–120 Å², rotatable bonds ≤ 6, highly rigid scaffolds, cLogP = 1.0–3.8, and no strongly ionizable groups. The selected compounds exhibit high rigidity and shape complementarity, making them well-suited for targeting shallow, dynamic, and hydrophobic-dominated allosteric pockets.

This allosteric modulator library contains 4,315 structurally diverse, lead-like compounds dedicated to allosteric drug development, allosteric site targeting, and allosteric modulator screening. It is suitable for kinases, GPCRs, and other important drug targets. All compounds are analogs of clinical-stage allosteric modulators with a similarity score > 0.6, combining excellent druggability and allosteric binding potential. It provides a highly efficient tool for early-stage allosteric drug discovery.

Cat. No.	Product Name	Target	Research Area

HY-P1221A

ProTx II TFA	Sodium Channel	Neurological Disease
ProTx II TFA is a selective blocker of Nav1.7 sodium channels with an IC₅₀ of 0.3 nM, and is at least 100-fold selective for Nav1.7 over other sodium channel subtypes. ProTx-II inhibits sodium channels by decreasing channel conductance and shifting activation to more positive potentials and blocks action potential propagation in nociceptors .

HY-P0039

BIM-26226	Bombesin Receptor	Cancer
BIM-26226 is a selective gastrin-releasing peptide receptor (GRPR) (IC₅₀ = 6 nM) and bombesin receptor (BN receptor) antagonist. BIM-26226 antagonizes BN- or GRP-stimulated amylase release with IC₅₀ values of 0.3 nM and 0.2 nM, respectively. BIM-26226 is specific for the GRP-preferring BN receptor subtype with no interference with GRP receptor system. BIM-26226 can induce the synthesis of somatostatin receptor but has no significant effect on tumor growth .

HY-P1221

ProTx II	Sodium Channel	Neurological Disease
ProTx II is a selective blocker of Nav1.7 sodium channels with an IC₅₀ of 0.3 nM, and is at least 100-fold selective for Nav1.7 over other sodium channel subtypes. ProTx-II inhibits sodium channels by decreasing channel conductance and shifting activation to more positive potentials and blocks action potential propagation in nociceptors .

HY-101230

ICI 174864	Opioid Receptor	Neurological Disease
ICI 174864 is a selective and brain-penetrant δ-opioid receptor antagonist with K_e values of 22.0 nM to 30.6 nM at δ-opioid receptor in mouse vas deferens. ICI 174864 selectively blocks biological effects mediated by the δ-opioid receptor agonist DPDPE (HY-P1334) after central administration. ICI 174864 reverses hypotension in rats with endotoxic shock and inhibits acetic acid-induced writhing in mice. ICI 174864 can be used for the research of opioid receptor subtypes, endotoxic hypotension and analgesic pathways .

HY-P1220A

Huwentoxin-IV TFA	Sodium Channel	Neurological Disease
Huwentoxin-IV TFA is a potent and selective sodium channel blocker, inhibits neuronal Nav1.7, Nav1.2, Nav1.3 and Nav1.4 with IC₅₀s of 26, 150, 338 and 400 nM, respectively. Huwentoxin-IV TFA preferentially blocks peripheral nerve subtype Nav1.7 by binding neurotoxin receptor site 4. Huwentoxin-IV TFA has analgesic effects on animal models of inflammatory and neuropathic pain .

HY-P3269

Calciseptine	Calcium Channel	Cardiovascular Disease
Calciseptine is a natural polypeptide toxin found in the venom of the black mamba snake (Dendroaspis p. polylepis). Calciseptine is a highly effective and selective blocker of the L-type channel of the Cav1.2 subtype, with an IC₅₀ value of 92 nM. Calciseptine has no effect on Cav3.1, Cav2.2, Cav2.1, Cav1.1, voltage-sensitive sodium channels and potassium channels. Calciseptine exhibits negative inotropic and negative relaxant effects on mice, and does not affect heart rate or the action potential of sinoatrial node pacemaker cells. Calciseptine can be used for research on cardiovascular diseases_[1].

HY-P11260

MD5	Ser/Thr Protease Thrombin	Metabolic Disease
MD5 is a selective TMPRSS6 mimetic peptide inhibitor with an IC₅₀ for recombinant human TMPRSS6 protein of 22 nM and a K_i of 3.4 nM. MD5 exhibits the significantly reduced inhibitory effect on Matriptase, with an IC₅₀ of 352 nM and a K_i of 99.2 nM. MD5 exhibits good target specificity and only has a weak inhibitory effect on thrombin (Thrombin), with K_i of 120 nM. MD5 demonstrates good initial drugability and can be used for the study of iron overload diseases (such as hereditary hemochromatosis, β-thalassemia) .

HY-P1219

Jingzhaotoxin-III β-TRTX-Cj1α	Sodium Channel	Neurological Disease
Jingzhaotoxin-III is a potent and selective blocker of Nav1.5 channels, with an IC₅₀ of 348 nM, and shows no effect on other sodium channel isoforms. Jingzhaotoxin-III can selectively inhibit the activation of cardiac sodium channel but not neuronal subtypes, and hopefully represents an important ligand for discriminating cardiac VGSC subtype .

HY-P5158

Conopeptide rho-TIA	Adrenergic Receptor	Others
Conopeptide rho-TIA is a peptide derived from the venom contained in the predatory sea snail Conus tulipa, has highly selective and noncompetitive inhibitor at human α_1B-Adrenergic Receptor. Conopeptide rho-TIA acts a competitive inhibitor at human α_1A-Adrenergic Receptor and *α_1D-Adrenergic Receptor. Conopeptide rho-TIA binds to each subtype* and may provide useful information for the development of novel α₁-Adrenergic Receptor subtype-selective drugs** .

HY-P5010

(D-Arg8)-Inotocin	Vasopressin Receptor	Cardiovascular Disease
(D-Arg8)-Inotocin is a potent, selective and competitive antagonist of vasopressin receptor (V_1aR), with a K_i of 1.3 nM. (D-Arg8)-Inotocin shows more than 3000-fold selectivity for the human V1aR over the other three subtypes, OTR, V1bR and V2R .

HY-P11389

(Sar1,Gly8)-Angiotensin II	Angiotensin Receptor	Neurological Disease
(Sar1,Gly8)-Angiotensin II is an AT1 angiotensin II receptor subtype selective antagonist (K_i: 52 nM for AT2 receptor in rat adrenal). (Sar1,Gly8)-Angiotensin II potently antagonizes dipsogenic responses to intracerebroventricularly administered Ang II .

HY-P1220

Huwentoxin-IV	Sodium Channel	Neurological Disease
Huwentoxin-IV is a potent and selective sodium channel blocker, inhibits neuronal Nav1.7, Nav1.2, Nav1.3 and Nav1.4 with IC₅₀s of 26, 150, 338 and 400 nM, respectively. Huwentoxin-IV preferentially blocks peripheral nerve subtype Nav1.7 by binding neurotoxin receptor site 4. Huwentoxin-IV has analgesic effects on animal models of inflammatory and neuropathic pain .

HY-P5172

MitTx-alpha	Sodium Channel	Neurological Disease
MitTx-alpha is a subunit of MitTx. MitTx is a potent, persistent, and selective agonist for acid-sensing ion channels (ASICs). MitTx is highly selective for the ASIC1 subtype at neutral pH; under more acidic conditions (pH<6.5), MitTx massively potentiates (>100-fold) proton-evoked activation of ASIC2a channels .

HY-P1384

L803	Somatostatin Receptor	Neurological Disease
L803 is a selective Somatostatin Receptor Subtype 4 (SST4) agonist. L803 inhibits L-type calcium channel currents (I_Ca). L803 is promising for research of retinal ganglion cell (RGC) degenerative diseases (e.g., glaucoma) .

HY-P3676

Neuropeptide Y (3-36) (porcine)	Neuropeptide Y Receptor	Neurological Disease
Neuropeptide Y (3-36) (porcine) is an agonist of neuropeptide Y (NPY) receptor subtype Y2, and stimulates feeding in rats. Neuropeptide Y (3-36) (porcine) is a highly Y2 selective ligand compared with nselective Y1/Y2 receptor ligand, Neuropeptide Y 1-36 .

HY-P1278B

GR 64349 acetate	Neurokinin Receptor	Neurological Disease Endocrinology
GR 64349 acetate is a selective neurokinin 2 (NK2) receptor agonist. GR 64349 acetate selectively activates the NK-2 receptor subtype. GR 64349 acetate activates tonic and rhythmic bladder contractions of the micturition reflex. GR 64349 acetate does not inhibit rhythmic bladder contraction activation induced by normal saline. GR 64349 acetate induces inward currents .

HY-P1336A

Deltorphin I TFA Deltorphin 1 TFA; Deltorphin C TFA; [D-Ala2] Deltorphin I TFA	Opioid Receptor	Neurological Disease
Deltorphin I TFA (Deltorphin 1 TFA; Deltorphin C TFA; [D-Ala2] Deltorphin I TFA) is a high-affinity, selective δ-opioid receptor agonist that targets the δ1 and δ2 opioid receptor subtypes. Deltorphin I TFA produces analgesic effects in the rat spinal cord. Deltorphin I TFA increases the pain threshold in rats. Deltorphin I TFA can be used in studies related to nociception (acute pain) .

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-111557

YM-254890 15+ Cited Publications	Cardiovascular Disease Natural Products Microorganisms Classification of Application Fields Disease Research Fields Source Classification	P2Y Receptor
YM-254890 is a selective G_αq/11 protein inhibitor isolated from Chromobacterium sp. YM-254890 shows no inhibition of other G protein subtypes. YM-254890 inhibits platelet aggregation induced by ADP by blocking the P2Y₁ signal transduction pathway, with an IC₅₀ value below 0.6 μM .

HY-N0584

Anisodamine 6-Hydroxyhyoscyamine	Alkaloids Neurological Disease Classification of Application Fields Other Alkaloids Anisodus tanguticus (Maxinowicz) Pascher Solanaceae Plants Disease Research Fields Source Classification	mAChR
Anisodamine (6-Hydroxyhyoscyamine), a belladonna alkaloid, is a non-subtype-selective muscarinic, and also a nicotinic cholinoceptor antagonist. Anisodamine employs in traditional Chinese medicine for many ailments, mainly to improve the microcirculation in states of shock, and also in organophosphate poisoning .

HY-N0584A

Anisodamine hydrobromide 6-Hydroxyhyoscyamine hydrobromide	Alkaloids Pyrrole Alkaloids Classification of Application Fields Anisodus tanguticus (Maxinowicz) Pascher Solanaceae Plants Inflammation/Immunology Disease Research Fields Source Classification	mAChR
Anisodamine hydrobromide (6-Hydroxyhyoscyamine hydrobromide), a belladonna alkaloid, is a non-subtype-selective muscarinic and a nicotinic cholinoceptor antagonist. Anisodamine hydrobromide shows antioxidant, anti-inflammatory properties .

HY-N7225

Yuanhuacine 1 Publications Verification Gnidilatidin	Classification of Application Fields Terpenoids Thymelaeaceae Diterpenoids Plants Daphne genkwa Sieb. et Zucc. Disease Research Fields Source Classification Cancer	DNA/RNA Synthesis
Yuanhuacine (Gnidilatidin), a diterpene from Daphne genkwa, is an effective and highly selective inhibitor of the basal-like 2 (BL2) subtype of TNBC. Yuanhuacine can induce G2/M cell cycle arrest and has broad anti-tumor activity. Yuanhuacine is an orally active DNA damaging agent .

HY-103183

CV1808 2-Phenylaminoadenosine	Natural Products Classification of Application Fields Endogenous metabolite Inflammation/Immunology Disease Research Fields Source Classification	Adenosine Receptor Endogenous Metabolite
CV1808 (2-Phenylaminoadenosine) is a non-selective A2 adenosine receptor (A2 AR) agonist with K_is of 76 and 1450 nM for A2A and A3 adenosine receptor subtypes, respectively .

HY-142908

Maximiscin	Alkaloids Classification of Application Fields Pyridine Alkaloids Endogenous metabolite Disease Research Fields Source Classification Cancer	Endogenous Metabolite
Maximiscin, a fungal metabolite, induces DNA damage and shows selective cytotoxic activity against a subtype of triple-negative breast cancer.

HY-N0584AR

Anisodamine hydrobromide (Standard) 6-Hydroxyhyoscyamine hydrobromide (Standard)	Alkaloids Structural Classification Pyrrole Alkaloids Anisodus tanguticus (Maxinowicz) Pascher Solanaceae Plants Source Classification	Reference Standards mAChR
Anisodamine (hydrobromide) (Standard) is the analytical standard of Anisodamine (hydrobromide). This product is intended for research and analytical applications. Anisodamine hydrobromide (6-Hydroxyhyoscyamine hydrobromide), a belladonna alkaloid, is a non-subtype-selective muscarinic and a nicotinic cholinoceptor antagonist. Anisodamine hydrobromide shows antioxidant, anti-inflammatory properties .

HY-103183R

CV1808 (Standard) 2-Phenylaminoadenosine (Standard)	Structural Classification Natural Products Endogenous metabolite Source Classification	Reference Standards Adenosine Receptor Endogenous Metabolite
CV1808 (Standard) is the analytical standard of CV1808. This product is intended for research and analytical applications. CV1808?(2-Phenylaminoadenosine) is a non-selective A2?adenosine receptor (A2 AR) agonist with Kis of 76 and 1450 nM for A2A and A3 adenosine receptor subtypes, respectively .

HY-13225E

(E/Z)-Rivanicline (E/Z)-RJR-2403; (E/Z)-Metanicotine	Alkaloids Duboisia hopwoodii (F.Muell.) F.Muell. Quinoline Alkaloids Solanaceae Plants Source Classification	nAChR
(E/Z)-Rivanicline ((E/Z)-RJR-2403, (E/Z)-Metanicotine) is the E/Z mixture of Rivanicline (HY-13225A). Rivanicline is a neuronal nicotinic receptor (neuronal nicotinic receptor) agonist that is highly selective for the α4β2 subtype, K_i is 26 nM, which is more than 1000 times more inhibitory than α7 receptor .

HY-N8421

Tabernanthine	Apocynaceae Structural Classification Alkaloids Plants Indole Alkaloids Tabernanthe iboga Baill. Source Classification	Potassium Channel
Tabernanthine is a negative chronotropic and negative inotropic agent that selectively acts on sinoatrial node receptors, regulating heart rhythm and myocardial contractility. Tabernanthine exhibits atropine resistance and direct non-cholinergic binding properties, acting directly on the sinoatrial node rather than relying on vagal nerve or cholinergic pathways to exert its key activity of slowing heart rate and weakening myocardial contractility. Tabernanthine is useful in cardiovascular pharmacology research, particularly in the areas of sinoatrial node function regulation, mechanisms related to bradycardia, and studies of cardiac receptor subtype differences .

Cat. No.	Product Name	Chemical Structure

HY-15831

L-838417-d9
L-838417-d₉ is the deuterium labeled L-838417 (HY-W009009). L-838417 is a selective partial agonist at the α2, α3 and α5 subtypes of the GABA_A receptor and an antagonist at the α1, with binding K_i values of 0.79 nM, 0.67 nM, 1.67 nM, 267 nM, 2.25 nM and 2183 nM for α1β3γ2, α2β3γ2, α3β3γ2, α4β3γ2, α5β3γ2 and α6β3γ2. L-838417 has anti-anxiety activity .

HY-115766S

Anabaseine-d4
Anabaseine-d₄ is the deuterium labeled Anabaseine (HY-115766). Anabaseine is a non-selective nicotinic agonist. Anabaseine stimulates all AChRs, preferentially stimulates skeletal muscle and brain α7 subtypes . Anabaseine is also a weak partial agonist at α4β2 nAChRs .

HY-17416AS

Guanfacine-13C,15N3

Guanfacine- ¹³C, ¹⁵N₃ is the ¹³C and ¹⁵N labeled Guanfacine . Guanfacine is an orally active noradrenergic α2A agonist and has high selective for the α2A receptor subtype. Guanfacine has effects in producing hypotension and sedation. Guanfacine can be used for the research of a variety of prefrontal cortex (PFC) cognitive disorders, including tourette's syndrome and attention deficit hyperactivity disorder (ADHD) .

HY-B0391S1

Naftopidil-d5
Naftopidil-d₅ is deuterium labeled Naftopidil. Naftopidil (KT-611) is is a selective alpha1-adrenoceptor antagonist, with K_is of 3.7 nM, 20 nM and 1.2 nM for the cloned human α1a-, α1b- and α1d-adrenoceptor subtypes, respectively. Naftopidil has antiproliferative effects. Naftopidil can be used for the research of prostate hyperplasia .

HY-17416AS1

Guanfacine-15N3,13C2

Guanfacine- ¹⁵N₃, ¹³C₂ is ¹⁵N and ¹³C labeled Guanfacine (HY-17416A). Guanfacine is an orally active noradrenergic α2A agonist and has high selective for the α2A receptor subtype. Guanfacine has effects in producing hypotension and sedation. Guanfacine can be used for the research of a variety of prefrontal cortex (PFC) cognitive disorders, including tourette's syndrome and attention deficit hyperactivity disorder (ADHD) .

HY-17416S2

Guanfacine-13C,d5 hydrochloride

Guanfacine- ¹³C,d₅ hydrochloride is the deuterium and ¹³C labeled Guanfacine hydrochloride (HY-17416). Guanfacine hydrochloride is an orally active noradrenergic α2A agonist and has high selective for the α2A receptor subtype. Guanfacine has effects in producing hypotension and sedation. Guanfacine can be used for the research of a variety of prefrontal cortex (PFC) cognitive disorders, including tourette's syndrome and attention deficit hyperactivity disorder (ADHD) .

HY-B0391S2

Naftopidil-d7
Naftopidil-d₇ (KT-611-d₇ ) is deuterium labeled Naftopidil. Naftopidil (KT-611) is is a selective alpha1-adrenoceptor antagonist, with K_is of 3.7 nM, 20 nM and 1.2 nM for the cloned human α_1a-, α_1b- and α_1d-adrenoceptor subtypes, respectively. Naftopidil has antiproliferative effects. Naftopidil can be used for the research of prostate hyperplasia .

HY-W742404

Bopindolol-d9

Bopindolol-d₉ ((±)-Bopindolol-d₉) is the deuterium labeled Bopindolol (HY-B1562). Bopindolol ((±)-Bopindolol) is an orally active antagonist of β-adrenoceptors (ARs) with partial agonist activity. Bopindolol is non-selective for β1- and β2-ARs and has low affinity for β3-AR subtype. Bopindolol has intrinsic sympathomimetic as well as membrane stabilizing actions, inhibits renin secretion, and interacts with 5-HT receptors. Bopindolol is a proagent of Pindolol (HY-B0982). Bopindolol can be used for essential and renovascular hypertension research.

Cat. No.	Product Name		Classification

HY-123249

HZ166		Alkynes
HZ166 is a GABAA receptor subtype-selective benzodiazepine site agonist with preferential activity at α2- and α3-GABAA receptors. HZ166 shows anti-hyperalgesic effects . HZ166 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

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