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Click Chemistry

Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-10295
    SB 202190
    Maximum Cited Publications
    134 Publications Verification

    		 Organoid p38 MAPK Autophagy Apoptosis Neurological Disease Cancer
    SB 202190 is a selective p38 MAP kinase inhibitor with IC50s of 50 nM and 100 nM for p38α and p38β2, respectively. SB 202190 binds to the ATP pocket of the active recombinant human p38 kinase with a Kd of 38 nM. SB 202190 has anti-cancer activity and rescued memory deficits . SB202190 induces autophagy .
    SB 202190
  • HY-145928
    Divarasib
    5+ Cited Publications

    GDC-6036

    		 Ras Cancer
    Divarasib (GDC-6036) is an orally active, selective KRAS G12C inhibitor with an IC50 of <0.01 μM. Divarasib covalently binds Cys12 in GDP-bound KRAS G12C, occupies the switch II pocket, blocks GTP binding and SOS-mediated reactivation, and inhibits oncogenic KRAS signaling. Divarasib induces tumor shrinkage and robust tumor growth inhibition in KRAS G12C-positive models and cancer cells. Divarasib can be used for the research of non-small cell lung cancer, colorectal adenocarcinoma, pancreatic ductal adenocarcinoma, and other KRAS G12C-mutated solid tumors .
    Divarasib
  • HY-101117
    EED226
    10+ Cited Publications

    		 Histone Methyltransferase Cancer
    EED226 is a polycomb repressive complex 2 (PRC2) inhibitor, which binds to the K27me3-pocket on embryonic ectoderm development (EED) and shows strong antitumor activity in xenograft mice model . EED226 is a potent, selective, and orally bioavailable EED inhibitor . EED226 inhibits PRC2 with an IC50 of 23.4 nM when the H3K27me0 peptide is used as a substrate in the in vitro enzymatic assays .
    EED226
  • HY-110287
    Apcin
    5+ Cited Publications

    		 APC Mitosis Cancer
    Apcin, a ligand of Cdc20, is a potent and competitive anaphase-promoting complex/cyclosome (APC/C(Cdc20)) E3 ligase activity inhibitor. Apcin competitively inhibits APC/C-dependent ubiquitylation by binding to Cdc20 and preventing substrate recognition. Apcin occupes the D-box-binding pocket on the side face of the WD40-domain and can prolong mitosis .
    Apcin
  • HY-126247
    BI-2852

    		Ras Cancer
    BI-2852 is a KRAS inhibitor for the switch I/II pocket (SI/II-pocket) by structure-based agent design with nanomolar affinity. BI-2852 is mechanistically distinct from covalent KRASG12C inhibitor (binds to switch II pocket) and binds ten-fold more strongly to active KRASG12D versus KRASwt (740 nM vs 7.5 μM). BI-2852 blocks GEF, GAP, and effector interactions with KRAS, leading to inhibition of downstream signaling and an antiproliferative effect in KRAS mutant cells.
    BI-2852
  • HY-156140
    Naa50-IN-1

    		Histone Acetyltransferase Others
    Naa50-IN-1 is an N-alpha-acetyltransferase 50 (Naa50) inhibitor with an IC50 of 7 nM against the human protein. Naa50-IN-1 exhibits selectivity toward the related enzymes Naa10 and Naa60. Naa50-IN-1 binds to the substrate-binding pocket of Naa50, and its binding affinity is enhanced by AcCoA .
    Naa50-IN-1
  • HY-W195984
    Z57346765
    1 Publications Verification

    		 Phosphoglycerate Kinase (PGK) Cancer
    Z57346765 is an inhibitor that targets the ADP-binding pocket of PGK1, with a Kd of 20.9 μM for human PGK1, and exhibits anticancer activity. Z57346765 reduces the activity of the metabolic enzyme PGK1 during glycolysis, regulates lipid peroxidation and cancer cell proliferation, and promotes lipid peroxidation in cervical cancer cells. Z57346765 inhibits the proliferation of cervical cancer and clear cell renal cell carcinoma cells in xenograft mouse models, and induces the expression of genes associated with cell metabolism, DNA replication and cell cycle. Z57346765 is used in research related to cervical cancer, clear cell renal cell carcinoma and breast cancer .
    Z57346765
  • HY-10295A
    SB 202190 hydrochloride
    Maximum Cited Publications
    134 Publications Verification

    		 Organoid p38 MAPK Autophagy Apoptosis Neurological Disease Cancer
    SB 202190 hydrochloride is a selective p38 MAP kinase inhibitor with IC50s of 50 nM and 100 nM for p38α and p38β2, respectively. SB 202190 hydrochloride binds to the ATP pocket of the active recombinant human p38 kinase with a Kd of 38 nM. SB 202190 hydrochloride has anti-cancer activity . SB202190 hydrochloride induces autophagy .
    SB 202190 hydrochloride
  • HY-175328
    LIBX-A403

    		ACSL Family Ferroptosis Neurological Disease Cancer
    LIBX-A403 is a potent, selective and reversible ACSL4 inhibitor with a human IC50 of 0.049 μM and a Kd of 0.29 μM. LIBX-A403 binds in the ACSL4 fatty acid pocket in an ATP-dependent manner. LIBX-A403 prevents cell ferroptosis. LIBX-A403 can be used for the researches of cancer and parkinson's disease .
    LIBX-A403
  • HY-W013724
    Inosine-5'-diphosphate disodium

    IDP disodium; Inosine-5'-diphosphoric acid disodium

    		 c-Myc Apoptosis Cardiovascular Disease Inflammation/Immunology Cancer
    Inosine-5'-diphosphate disodium (IDP disodium) is a decoy substrate of NM23-H2. Inosine-5'-diphosphate disodium has a superior bond capacity on GDP-binding pocket of NM23-H2 (KD: 5.0 μM). Inosine-5'-diphosphate disodium abrogates c-MYC transcription, induces apoptosis and G2/M cell cycle arrest by disrupting NM23-H2-Pu27-GQ interactions without affecting NM23-H2-mediated kinase properties. Inosine-5'-diphosphate disodium has antihypoxic, antihyperthermic and antiarrhythmic activity and protects animals against the noxious effects of γ-irradiation. Inosine-5'-diphosphate disodium can be used for cancers like Burkitt's lymphoma and cardiovascular diseases research .
    Inosine-5'-diphosphate disodium
  • HY-163002
    viFSP1
    4 Publications Verification

    		 Ferroptosis Cancer
    viFSP1 is a species-independent FSP1 inhibitor. viFSP1 directly inhibits FSP1 by targeting the highly conserved NAD(P)H binding pocket of FSP1. viFSP1 can induce Ferroptosis in FSP1-dependent cells. viFSP1 can be used in renal and breast cancer research .
    viFSP1
  • HY-121629
    PS210

    		PDK-1 Cancer
    PS210 is a potent and selective PDK1 activator with a Kd of 3 μM and targets the PIF-binding pocket of PDK1. PS210 is inactive against other protein kinases, including PDK1 downstream signaling components such as S6K, PKB/Akt or GSK3. In cells, the prodrug of PS210 (PS423) acts as a substrate-selective inhibitor of PDK1, inhibiting the phosphorylation and activation of S6K .
    PS210
  • HY-115719
    NR162

    		Ser/Thr Kinase Neurological Disease
    NR162 is a selective CASK (Ca 2+/calmodulin-dependent Ser/Thr kinase) inhibitor with an IC50 of 80 nM and a Kd of 22 nM. NR162 shows about 50-fold selectivity for CASK than TYRO3. NR162 targets the unique GFG motif of CASK and has excellent shape complementarity to the CASK ATP binding pocket. NR162 can be used for the research of neurological diseases .
    NR162
  • HY-157508
    VCP Activator 1
    2 Publications Verification

    		 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 .
    VCP Activator 1
  • HY-175327
    LIBX-A402

    		ACSL Family Ferroptosis Neurological Disease Cancer
    LIBX-A402 is a selective, ATP-dependent inhibitor of ACSL4 (hACSL4, IC50=0.33 μM, Kd=3.3 μM) and an inhibitor of ferroptosis. LIBX-A402 targets the fatty acid-binding pocket of ACSL4 and prevents cells from undergoing ferroptosis. LIBX-A402 can be used in the research of cancer and Parkinson's disease .
    LIBX-A402
  • HY-W040230
    Acrylodan

    		Fluorescent Dye Others
    Acrylodan, reacted with thiols, is sensitive to the local environmental dipolarity and dynamics within the binding pocket surrounding Cys 34 .
    Acrylodan
  • HY-149101
    Inosine-5'-diphosphate

    IDP; Inosine-5'-diphosphoric acid

    		 c-Myc Apoptosis Cardiovascular Disease Inflammation/Immunology Cancer
    Inosine-5'-diphosphate (IDP) is a decoy substrate of NM23-H2. Inosine-5'-diphosphate has a superior bond capacity on GDP-binding pocket of NM23-H2 (KD: 5.0 μM). Inosine-5'-diphosphate abrogates c-MYC transcription, induces apoptosis and G2/M cell cycle arrest by disrupting NM23-H2-Pu27-GQ interactions without affecting NM23-H2-mediated kinase properties. Inosine-5'-diphosphate has antihypoxic, antihyperthermic and antiarrhythmic activity and protects animals against the noxious effects of γ-irradiation. Inosine-5'-diphosphate can be used for cancers like Burkitt's lymphoma and cardiovascular diseases research .
    Inosine-5'-diphosphate
  • HY-117103
    AMG131

    INT131

    		 PPAR Metabolic Disease
    AMG131 (INT131) is a potent non-thiazolidinedione (TZD) selective peroxisome proliferator-activated receptor γ modulator (SPPARM). AMG131 binds to PPARγ within the same binding pocket as the TZDs, but occupies a unique space in the pocket and contacts the receptor at distinct points from the TZDs. AMG131 is promising for research of type-2 diabetes mellitus .
    AMG131
  • HY-115466
    MLT-748
    5 Publications Verification

    		 MALT1 Inflammation/Immunology
    MLT-748 is a potent, selective and allosteric inhibitor of MALT1, binds MALT1 in the allosteric Trp580 pocket, with an IC50 of 5 nM .
    MLT-748
  • HY-173352
    USP7 activator 1

    		Deubiquitinase Cancer
    USP7 activator 1 (compound MS-8) is an activator of USP7 by engaging the allosteric C-terminal binding pocket of USP7 .
    USP7 activator 1
  • HY-159805
    CDK2-IN-31

    		CDK Cancer
    CDK2-IN-31 is a CCNE1:CDK2 complex inhibitor with an IC50 of 0.13 μM. CDK2-IN-31 binds to a cryptic allosteric pocket at the CCNE1:CDK2 interface, inducing structural rearrangements of the CDK2 A-loop that disrupt the kinase's active conformation and interfere with substrate binding. CDK2-IN-31 inhibits phosphorylation of retinoblastoma protein 1 (RB1) in CCNE1-dependent ovarian cancer cells. CDK2-IN-31 impairs coenrichment of protein PRC1 with CCNE1-N112C:CDK2 complexes. CDK2-IN-31 can be used for the research of ovarian cancer .
    CDK2-IN-31
  • HY-132203
    Necrostatin-34

    		RIP kinase Inflammation/Immunology Cancer
    Necrostatin-34 (Nec-34), a RIPK1 kinase inhibitor, stabilizes RIPK1 kinase in an inactive conformation by occupying a distinct binding pocket in the kinase domain .
    Necrostatin-34
  • 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 .
    R-10015
  • 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 .
    SC99
  • HY-157486
    KMI169

    		Epigenetic Reader Domain Cancer
    KMI169 is a potent and selective inhibitor targeting lysine methyl-transferase (KMT9) (IC50 = 0.05 μM, Kd = 0.025 μM). KMI169 functions as a bi-substrate inhibitor targeting the cofactor S-5’-adenosyl-L-methionine (SAM) and substrate binding pockets of KMT9. KMI169 can downregulate target genes involved in cell cycle regulation and impair proliferation of tumor cells by inhibiting KMT9. KMI169 is a valuable tool to probe cellular KMT9 functions and can be research for combating diseases including prostate, lung, colon, and invasive bladder cancer .
    KMI169
  • HY-122106
    RS-104966

    		MMP Others
    RS-104966 is a potent collagenase-1 (MMP-1) inhibitor. RS-104966 induces a conformational change in the side chains of the S10 pocket of MMP-1 .
    RS-104966
  • HY-114314
    BA-53038B

    		HBV Infection
    BA-53038B is a HBV core protein allosteric modulator (CpAM), binding to the HAP pocket and modulating HBV capsid assembly. BA-53038B has antiviral activity for hepatitis B virus (HBV) with an EC50 value of 3.32 μM. BA-53038B can be used for the research of chronic hepatitis B .
    BA-53038B
  • HY-D1190
    DC271

    		RAR/RXR Others
    DC271 is a RAR agonist and synthetic retinoid that binds to the retinoid-binding site of cellular retinoic acid-binding protein II (CRBP-II). DC271 exhibits solvatochromic fluorescence properties: it produces intense blue-shifted emission in nonpolar environments and weak red-shifted emission in polar environments, and its severe fluorescence quenching in aqueous solutions can be reversed by embedding in the hydrophobic retinoid-binding protein pocket. DC271 enables direct detection of the binding between unlabeled compounds and related retinoid-binding proteins via fluorescence competition assays (Ex/Em = 355 nm/460 nm) .
    DC271
  • HY-145928B
    Divarasib adipate
    5+ Cited Publications

    GDC-6036 adipate

    		 Ras Cancer
    Divarasib (GDC-6036) adipate is an orally active, selective KRASG12C inhibitor with an IC50 of <0.01 μM. Divarasib adipate covalently binds Cys12 in GDP-bound KRASG12C, occupies the switch II pocket, blocks GTP binding and SOS-mediated reactivation, and inhibits oncogenic KRAS signaling. Divarasib adipate induces tumor shrinkage and robust tumor growth inhibition in KRASG12C-positive models and cancer cells. Divarasib adipate can be used for the research of non-small cell lung cancer, colorectal adenocarcinoma, pancreatic ductal adenocarcinoma, and other KRASG12C-mutated solid tumors .
    Divarasib adipate
  • HY-123045
    PNU-292137

    		CDK Cancer
    PNU-292137 is an orally active, potent CDK2 inhibitor with IC50s of 37 nM and 92 nM for CDK2/cyclin A and CDK2/cyclin E, respectively. PNU-292137 makes interactions with the hydrophobic pocket at the back of the CDK2 ATP pocket. PNU-292137 efficiently inhibits tumor cell proliferation in human colon and prostate tumor cell lines. PNU-292137 exhibits antitumor activity (TGI>50%) in a mouse xenograft model .
    PNU-292137
  • HY-136300
    PHD-1-IN-1

    		HIF/HIF Prolyl-Hydroxylase Cardiovascular Disease Inflammation/Immunology
    PHD-1-IN-1 is an orally active and potent HIF prolylhydroxylase domain-1 (PHD-1) inhibitor with an IC50 of 0.034 μM. PHD-1-IN-1 has a unique monodentate binding interaction with the active site Fe 2+ ion and induces the formation of an "Arg367-out" pocket .
    PHD-1-IN-1
  • HY-117809
    PDK1-IN-2

    		PDK-1 Cancer
    PDK1-IN-2 is a small molecule inhibitor of 3-phosphoinositol-dependent protein kinase-1 (PDK1). PDK1-IN-2 inhibits the binding of PDK1 to its substrate by competitively binding to the PIF pocket of PDK1, thereby inhibiting the kinase activity and downstream signaling of PDK1. PDK1-IN-2 can be used for cell survival and proliferation in cancer .
    PDK1-IN-2
  • HY-121900
    LT175

    		PPAR Metabolic Disease Endocrinology
    LT175, a dual PPARα/γ ligand, is an orally active partial agonist against PPARγ(hPPARα:EC50=0.22 μm; mPPARα:EC50=0.26 μm; hPPARγ:EC50=0.48 μm). LT175 interacts with PPARγ and affects the recruitment of the coregulators cyclic-AMP response element-binding protein-binding protein and nuclear corepressor 1 (NCoR1). LT175 interacts with PPARγ in a hydrophobic region called “diphenyl pocket”. LT175 has potent insulin-sensitizing effects and reduced adipogenic properties .
    LT175
  • HY-115741
    3BrB-PP1

    		Nucleoside Antimetabolite/Analog 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) .
    3BrB-PP1
  • HY-139906
    CXCL12 ligand 1

    		CXCR Inflammation/Immunology Cancer
    CXCL12 ligand 1 is the first ligand of the sY12-binding pocket on chemokine CXCL12.
    CXCL12 ligand 1
  • HY-126247B
    (R)-BI-2852

    		Drug Derivative Ras Cancer
    (R)-BI-2852 is the isomer of BI-2852 (HY-126247), and can be used as an experimental control. BI-2852 is a KRAS inhibitor for the switch I/II pocket (SI/II-pocket) by structure-based agent design with nanomolar affinity. BI-2852 is mechanistically distinct from covalent KRASG12C inhibitor (binds to switch II pocket) and binds ten-fold more strongly to active KRASG12D versus KRASwt (740 nM vs 7.5 μM). BI-2852 blocks GEF, GAP, and effector interactions with KRAS, leading to inhibition of downstream signaling and an antiproliferative effect in KRAS mutant cells.
    (R)-BI-2852
  • HY-124587
    MLT-747

    		MALT1 Inflammation/Immunology
    MLT-747 is a potent, selective, allosteric inhibitor of MALT1, binds MALT1 in the allosteric Trp580 pocket, with an IC50 of 14 nM .
    MLT-747
  • HY-157480
    EGFR/AURKB-IN-1

    		EGFR Aurora Kinase Cancer
    EGFR/AURKB-IN-1 (compound 7) is a dual-targeted EGFR/AURKB inhibitor, and inhibits the phpsphorylations of L858R EGFR and AURKB with IC50s of 0.07 and 1.1, respectively. EGFR/AURKB-IN-1 occupies the hydrophobic region I or the αC-helix out pocket of EGFR and the back pocket of AURKB, inhibiting the growth, division and metastasis of tumor cells, thus can be used for cancer research .
    EGFR/AURKB-IN-1
  • HY-119102
    BPU-11

    		HCN Channel Inflammation/Immunology
    BPU-11 is a hyperpolarization-activated cyclic nucleotide-gated (HCN) C-linker pocket (CLP) HCN4 CLP ligand. BPU-11 can be used for the research of congenital immune disease .
    BPU-11
  • HY-170322
    TDO2-IN-1

    		Indoleamine 2,3-Dioxygenase (IDO) Metabolic Disease Cancer
    TDO2-IN-1 is a selective TDO2 inhibitor. TDO2-IN-1 binds to the active pocket, heme-binding pocket and substrate-binding pocket of apo-TDO2, interacts with key residues, competitively inhibits heme insertion, and suppresses intracellular TDO2 activity. TDO2-IN-1 can be used in research related to cancer, metabolism and other fields .
    TDO2-IN-1
  • HY-134309
    NSC 288387

    		Virus Protease Infection
    NSC 288387 is a pan-flavivirus MTase inhibitor. NSC 288387 binds to the SAM-binding pocket. NSC 288387 inhibits ZIKV with an IC50 of 0.2 μM. NSC 288387 also inhibits viral replication in cell culture .
    NSC 288387
  • HY-179373
    UB-MBX-46

    		P2X Receptor Cardiovascular Disease Neurological Disease Cancer
    UB-MBX-46 is a potent and selective P2X7 receptor antagonist with IC50s of 0.514 nM (hP2X7R), 40.6 nM (rP2X7R), and 4.52 nM (mP2X7R), respectively. UB-MBX-46 interacts with the classical allosteric pocket of the human P2X7 receptor. UB-MBX-46 can be used for cancer, atherosclerosis, and neurode generation research .
    UB-MBX-46
  • HY-120188
    CC618

    		PPAR Others
    CC618 is a selective PPARβ/δ antagonist. CC618 covalently modifies conserved Cys249 in the PPARβ/δ ligand-binding pocket via nucleophilic aromatic substitution, converting its thiol moiety to a 5-trifluoromethyl-2-pyridylthioether .
    CC618
  • HY-162505
    SQA1

    		CCR CXCR Inflammation/Immunology Cancer
    SQA1, a squaramide (SQA) derivative, is a CCR6 antagonist with a Kd of 250 nM. SQA1 is also a CXCR2 inhibitor. The intracellular pocket occupied by SQA1 overlaps with the G protein binding site and stabilizes the closed conformation of the intracellular pocket .
    SQA1
  • HY-179241
    UNC10062

    		Dopamine Receptor Neurological Disease
    UNC10062 is a dopamine D1 receptor (D1R) positive allosteric modulator. UNC10062 specifically binds to the extracellular allosteric pocket (upper pocket) at the interface of transmembrane helices (TM) 1 and 7 of D1R. UNC10062 can increase dopamine potency and D1R-mediated cAMP production. UNC10062 can be used for the research of neurological disease, such as Parkinson's disease .
    UNC10062
  • HY-134559
    TKIM

    		Potassium Channel Neurological Disease
    TKIM is a TREK-1 channel inhibitor with an IC50 of 2.96 μM. TKIM binds to the pocket of the intermediate (IM) state of TREK-1 .
    TKIM
  • HY-15350
    Trovirdine hydrochloride

    LY 300046 hydrochloride

    		 Reverse Transcriptase Others
    Trovirdine hydrochloride, a phenethylthiazolylthiourea (PETT) derivative, is an HIV reverse transcriptase (RT) non-nucleoside inhibitor (NNI). A novel computer model of the RT/NNI binding pocket revealed spatial gaps around Trovirdine hydrochloride's pyridyl ring. Docking studies suggested that replacing this planar ring with a nonplanar piperidinyl or piperazinyl ring could better occupy the binding pocket, enhancing anti-HIV activity. Synthesized heterocyclic compounds based on this modification demonstrated greater potency than Trovirdine hydrochloride, effectively inhibiting HIV replication at nanomolar concentrations without cytotoxicity in infected peripheral blood mononuclear cells .
    Trovirdine hydrochloride
  • HY-152214
    SIRT5 inhibitor 5

    		Sirtuin Cancer
    SIRT5 inhibitor 5 is a potent SIRT5 inhibitor with an IC50 value of 0.21 µM. SIRT5 inhibitor 5 does not occupy the NNAD + -binding pocket and acts as a substrate-competitive inhibitor .
    SIRT5 inhibitor 5
  • HY-110046
    CL-82198 hydrochloride

    		MMP Others
    CL-82198 hydrochloride is a selective inhibitor of MMP-13. CL-82198 hydrochloride binds to the entire S1’ pocket of MMP-13, which is the basis of its selectivity against MMP-1, MMP-9, and TACE .
    CL-82198 hydrochloride
  • HY-163114
    2-Stearoxyphenethyl phosphocholin

    		p38 MAPK Metabolic Disease
    2-Stearoxyphenethyl phosphocholin (compound 1a) is a p38 MAPK inhibitor with anticancer activity. 2-Stearoxyphenethyl phosphocholin may bind to the p38 MAPK lipid-binding pocket and has broad-spectrum anti-tumor and lipid-modulating activities .
    2-Stearoxyphenethyl phosphocholin

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