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ATP binding pocket

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Apoptosis (4) Aurora Kinase (1) Autophagy (3) Bacterial (3) Bcr-Abl (1) Btk (1) c-Met/HGFR (1) Checkpoint Kinase (Chk) (1) FAK (1) FGFR (2) GSK-3 (1) IRE1 (1) Isotope-Labeled Compounds (1) JAK (2) LIM Kinase (LIMK) (1) MAP3K (1) mTOR (1) p97 (1) PAK (1) PKA (1) Reverse Transcriptase (1) RIP kinase (2) Ser/Thr Protease (1) STAT (1) TGF-β Receptor (2) Trk Receptor (1)
By Research Areas:	Cancer (17) Cardiovascular Disease (2) Infection (4) Inflammation/Immunology (8) Metabolic Disease (1) Neurological Disease (3)

Inhibitors & Agonists

Screening Libraries

Natural
Products

Isotope-Labeled Compounds

Targets Recommended: ATP Synthase ATP Citrate Lyase Penicillin-binding protein (PBP) FKBP FABP Transthyretin (TTR) Ligands for Target Protein for PROTAC P-glycoprotein YB-1

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-115741

3BrB-PP1	Others	Neurological Disease Cancer
3BrB-PP1 is an ATP-competitive analog. 3BrB-PP1 can specifically inhibit the activity of protein kinase with mutations in the ATP-binding pocket (mutation of Thr97 within Sty1’s ATP-binding pocket) .

HY-17537

APY29 5+ Cited Publications	IRE1	Cancer
APY29, an ATP-competitive inhibitor, is an allosteric modulator of IRE1α which inhibits IRE1α autophosphorylation by binding to the ATP-binding pocket with IC₅₀ of 280 nM. APY29 acts as a ligand that allosterically activates IRE1α adjacent RNase domain .

HY-125017

Bozitinib 1 Publications Verification PLB-1001; CBT-101; Vebreltinib	c-Met/HGFR	Cancer
Bozitinib (PLB-1001) is a highly selective c-MET kinase inhibitor with blood-brain barrier permeability. Bozitinib (PLB-1001) is a ATP-competitive small-molecule inhibitor, binds to the conventional ATP-binding pocket of the tyrosine kinase superfamily .

HY-120097

R-10015	LIM Kinase (LIMK) Reverse Transcriptase	Infection
R-10015, a broad-spectrum antiviral compound for HIV infection, acts as a potent and selective inhibitor of LIM domain kinase (LIMK) and binds to the ATP-binding pocket, with an IC₅₀ of 38 nM for human LIMK1 .

HY-150258

TRK-IN-22

Trk Receptor Others

TRK-IN-22 (compound 11) is a TRK inhibitor. TRK-IN-22 (compound 11), a typical type I inhibitor, covers the ATP-binding pocket of TRKA .

TRK-IN-22	Trk Receptor	Others
TRK-IN-22 (compound 11) is a TRK inhibitor. TRK-IN-22 (compound 11), a typical type I inhibitor, covers the ATP-binding pocket of TRKA .

HY-N12399

Aplithianines A	PKA	Inflammation/Immunology
Aplithianines A is a potent inhibitor against J-PKA_cα with an IC₅₀ of 1 μM , and inhibits wild-type PKA with an IC₅₀ of 84 nM. Aplithianines A inhibits J-PKAcα catalytic activity by competitively binding to the *ATP* pocket .

HY-124764

KY-04031

PAK Cancer

KY-04031 is a potent PAK4 inhibitor with IC₅₀ of 0.79 μM. KY-04031 binds to the ATP-binding pocket of PAK4. KY-04031 blocks tumor cell growth and invasion .

KY-04031	PAK	Cancer
KY-04031 is a potent PAK4 inhibitor with IC₅₀ of 0.79 μM. KY-04031 binds to the ATP-binding pocket of PAK4. KY-04031 blocks tumor cell growth and invasion .

HY-112373

Aurora kinase inhibitor-3	Aurora Kinase	Others
Aurora kinase inhibitor-3 is a strong and selective Aurora A kinase inhibitor with an IC₅₀ of 42 nM, and weakly inhibits EGFR with an IC₅₀ of >10 μM. Aurora kinase inhibitor-3 has a binding mode with the cyclopropanecarboxylic acid moiety directed towards the solvent exposed region of the ATP-binding pocket .

HY-119699

PV1115	Checkpoint Kinase (Chk)	Cancer
PV1115 is a potent and highly selective Chk2 inhibitor with an IC₅₀ of 0.14 nM, 66000 nM, >100000 nM for Chk2, Chk1 and RSK2, respectively. PV1115 is situated within the ATP-binding pocket of Chk2 .

HY-19628

OD36	RIP kinase TGF-β Receptor	Inflammation/Immunology
OD36 is a RIPK2 inhibitor with an IC₅₀ of 5.3 nM. OD36 is a macrocyclic inhibitor with potent binding to the ALK2 kinase ATP pocket. OD36 shows ALK2-directed activity with K_Ds of 37 nM .

HY-19628A

OD36 hydrochloride	RIP kinase TGF-β Receptor	Inflammation/Immunology
OD36hydrochloride is a RIPK2 inhibitor with an IC₅₀ of 5.3 nM. OD36 hydrochloride is a macrocyclic inhibitor with potent binding to the ALK2 kinase ATP pocket. OD36 hydrochloride shows ALK2-directed activity with K_Ds of 37 nM .

HY-157508

VCP Activator 1	p97	Others
VCP Activator 1 is a VCP activator that dose-dependently stimulates VCP ATPase activity. VCP Activator 1 binds an allosteric pocket near the C-terminus. In addition, VCP Activator 1 binding site can also be occupied by a phenylalanine residue in the VCP C-terminal tail .

HY-149487

FGFR1 inhibitor-8	FGFR	Cancer
FGFR1 inhibitor-8 (Compound 9) is a FGFR1 inhibitor (IC₅₀s: 0.5 nM). FGFR1 inhibitor-8 binds to the ATP-binding pocket of FGFR1. FGFR1 inhibitor-8 has anticancer activity .

HY-149488

FGFR1 inhibitor-9	FGFR	Cancer
FGFR1 inhibitor-9 (Compound 7) is an FGFR1 inhibitor (IC₅₀s: 0.85 nM). FGFR1 inhibitor-9 binds to the ATP-binding pocket of FGFR1. FGFR1 inhibitor-9 has anticancer activity .

HY-125176

G907 1 Publications Verification	Bacterial	Infection
G907 is a selective antagonist of ATP-binding cassette (ABC) transporter MsbA with anti-microbial activity. G907 inhibits E. coli MsbA with an IC₅₀ value of 18 nM. G907 traps MsbA in an inward-facing, lipopolysaccharide-bound conformation by wedging into an architecturally conserved transmembrane pocket .

HY-153008

BCR-ABL-IN-7	Bcr-Abl	Cancer
BCR-ABL-IN-7 (compound 4) is a WT and T315I mutant ABL kinases inhibitor. BCR-ABL-IN-7 effectively inhibits activities of WT and T315I mutant ABL kinases. BCR-ABL-IN-7 can be used for the research of chronic myeloid leukemia (CML) research .

HY-161395

IDD-8E	Bacterial	Infection
IDD-8E is an effective anti-pseudomonal agent (MIC =4.4 µM ) with no cytotoxicity. IDD-8E shows significant pseudomonal killing and disruption of pseudomonal biofilm. IDD-8E binds to the ATP-binding pocket of WaaP and also inhibits other ESKAPE pathogens.

HY-151545

WNK1-IN-1	Ser/Thr Protease	Cardiovascular Disease Cancer
WNK1-IN-1 is a selective inhibitor of WNK1 with an IC₅₀ value of 1.6 μM. WNK1-IN-1 inhibits OSR1 phosphorylation with an IC₅₀ value of 4.3 μM. WNK1-IN-1 can be used for the research of blood pressure regulation and cancer .

HY-156026

FAK-IN-11	FAK	Cancer
FAK-IN-11 (Compound 4l) is a FAK inhibitor. FAK-IN-11 binds to the ATP binding pocket of FAK, and inhibits phosphorylation of FAK protein. FAK-IN-11 shows cytotoxic activity against the MDA-MB-231 cells with an IC₅₀ of 13.73? μM. FAK-IN-11 induces non-apoptotic cell death in MDA-MB-231 cells .

HY-W757743

Acalabrutinib-d3 ACP-196-d₃	Isotope-Labeled Compounds	Others
Acalabrutinib-d₃ (ACP-196-d₃) is the deuterated form of Acalabrutinib (HY-17600). Acalabrutinib (ACP-196) is an orally active, irreversible, highly selective second-generation BTK inhibitor. Acalabrutinib covalently binds to Cys481 in the ATP-binding pocket of BTK. Acalabrutinib shows strong targeting and efficacy in mouse models of chronic lymphocytic leukemia (CLL).

HY-143261

GSK-3β inhibitor 7	GSK-3	Metabolic Disease Inflammation/Immunology Cancer
GSK-3β inhibitor 7 is a GSK-3β inhibitor with an IC₅₀ value of 5.25 μM. GSK-3β inhibitor 7 is inserted into the ATP-binding binding pocket of GSK-3β and forms hydrogen-bond. GSK-3β inhibitor 7 shows high hepatocyte glucose uptake (83.5%), and can be used in the research of numerous diseases like diabetes, inflammation, cancer, Alzheimer's disease, and bipolar disorder .

HY-N0451

Acacetin 5+ Cited Publications 5,7-Dihydroxy-4'-methoxyflavone	Apoptosis Autophagy	Neurological Disease Inflammation/Immunology Cancer
Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research .

HY-17600

Acalabrutinib Maximum Cited Publications 20 Publications Verification ACP-196	Btk	Cancer
Acalabrutinib (ACP-196) is an orally active, irreversible, and highly selective second-generation BTK inhibitor. Acalabrutinib binds covalently to Cys481 in the ATP-binding pocket of BTK. Acalabrutinib demonstrates potent on-target effects and efficacy in mouse models of chronic lymphocytic leukemia (CLL) . Acalabrutinib is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

HY-N0656A

(+)-Usnic acid 2 Publications Verification	mTOR Bacterial Autophagy	Cancer
(+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity . (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium .

HY-124858

SC99	STAT JAK Apoptosis	Cardiovascular Disease Cancer
SC99 is an orally active, selective STAT3 inhibitor targeting JAK2-STAT3 pathway. SC99 docks into the ATP-binding pocket of JAK2. SC99 inhibits phosphorylation of JAK2 and STAT3 with no effects on the other kinases associated with STAT3 signaling. SC99 inhibits platelet activation, aggregation and displays potent anti-myeloma, anti-thrombotic activities .

HY-146727

JAK3-IN-11	JAK	Inflammation/Immunology
JAK3-IN-11 (Compound 12), a potent, noncytotoxic, irreversible, orally active JAK3 inhibitor with IC₅₀ value of 1.7 nM, has excellent selectivity (>588-fold compared to other JAK isoforms), covalently bind to the ATP-binding pocket in JAK3. JAK3-IN-11 strongly inhibits JAK3-dependent signaling and T cell proliferation, is a promising tool for study autoimmune diseases .

HY-N0451R

Acacetin (Standard) 5,7-Dihydroxy-4'-methoxyflavone (Standard)	Apoptosis Autophagy	Neurological Disease Inflammation/Immunology Cancer
Acacetin (Standard) is the analytical standard of Acacetin. This product is intended for research and analytical applications. Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research .

HY-103490

Takinib 10+ Cited Publications EDHS-206	MAP3K Apoptosis	Infection Inflammation/Immunology Cancer
Takinib (EDHS-206) is an orally active and selective TAK1 inhibitor (IC₅₀=9.5 nM), more than 1.5 log more potent than the second and third ranked targets, IRAK4 (120 nM) and IRAK1 (390 nM), respectively. Takinib is an inhibitor of autophosphorylated TAK1 that non-competitively binds within the ATP binding pocket. Takinib induces apoptosis following TNFα stimulation in cell models of rheumatoid arthritis and metastatic breast cancer. Takinib is also a P. falciparum protein kinase 9 (PfPK9) inhibitor (K_D(app) of 0.46 μM) .

Highly Selective Inhibitors Library	4653 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 4653 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

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-N0451

Acacetin Maximum Cited Publications 7 Publications Verification 5,7-Dihydroxy-4'-methoxyflavone	Structural Classification Neurological Disease Classification of Application Fields Flavones Anti-aging Source classification Dendranthema morifolium (Ramat.) Tzvel. Plants Compositae Endogenous metabolite Human Gut Microbiota Metabolites Flavonoids Phenols Polyphenols Inflammation/Immunology Disease Research Fields	Apoptosis Autophagy
Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research .

HY-N0656A

(+)-Usnic acid 2 Publications Verification	Structural Classification other families Classification of Application Fields Ketones, Aldehydes, Acids lichen Plants Disease Research Fields Cancer	mTOR Bacterial Autophagy
(+)-Usnic acid is isolated from isolated from lichens, binds at the ATP-binding pocket of mTOR, and inhibits mTORC1/2 activity. (+)-Usnic acid inhibits the phosphorylation of mTOR downstream effectors: Akt (Ser473), 4EBP1, S6K, induces autophay, with anti-cancer activity . (+)-Usnic acid possesses antimicrobial activity against a number of planktonic gram-positive bacteria, including Staphylococcus aureus, Enterococcus faecalis, and Enterococcus faecium .

HY-N12399

Aplithianines A	Structural Classification Alkaloids Microorganisms Other Alkaloids Source classification	PKA
Aplithianines A is a potent inhibitor against J-PKA_cα with an IC₅₀ of 1 μM , and inhibits wild-type PKA with an IC₅₀ of 84 nM. Aplithianines A inhibits J-PKAcα catalytic activity by competitively binding to the *ATP* pocket .

HY-N0451R

Acacetin (Standard) 5,7-Dihydroxy-4'-methoxyflavone (Standard)	Structural Classification Neurological Disease Classification of Application Fields Anti-aging Source classification Dendranthema morifolium (Ramat.) Tzvel. Plants Compositae Endogenous metabolite Human Gut Microbiota Metabolites Flavonoids Phenols Inflammation/Immunology Disease Research Fields	Apoptosis Autophagy
Acacetin (Standard) is the analytical standard of Acacetin. This product is intended for research and analytical applications. Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research .

Cat. No.	Product Name	Chemical Structure

HY-W757743

Acalabrutinib-d3
Acalabrutinib-d₃ (ACP-196-d₃) is the deuterated form of Acalabrutinib (HY-17600). Acalabrutinib (ACP-196) is an orally active, irreversible, highly selective second-generation BTK inhibitor. Acalabrutinib covalently binds to Cys481 in the ATP-binding pocket of BTK. Acalabrutinib shows strong targeting and efficacy in mouse models of chronic lymphocytic leukemia (CLL).

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ATP binding pocket

Inhibitors & Agonists

Screening Libraries

NaturalProducts

Isotope-Labeled Compounds

Natural
Products