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Results for "

binding pocket

" in MedChemExpress (MCE) Product Catalog:

118

Inhibitors & Agonists

2

Screening Libraries

1

Fluorescent Dye

2

Peptides

7

Natural
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1

Isotope-Labeled Compounds

Targets Recommended:
Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-163002
    viFSP1

    		Ferroptosis Cancer
    viFSP1 is a species-independent inhibitor of FSP1 that induces ferroptosis in FSP1-dependent cells. viFSP1 targets the highly conserved NAD(P)H binding pocket of FSP1 and directly inhibits FSP1. viFSP1 induces lipid peroxidation and has anticancer activity .
    viFSP1
  • HY-157486
    KMI169

    		Epigenetic Reader Domain Cancer
    KMI169 is a potent and selective bi-substrate inhibitor targeting the SAM and substrate binding pockets of KMT9. KMT9 monomethylates histone H4 lysine 12 and controls the proliferation of prostate cancer cells. KMI169 can be used for the research of prostate cancer .
    KMI169
  • HY-157508
    VCP Activator 1
    1 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-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-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-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
  • HY-163115
    2-Oleoxyphenethyl phosphocholin

    		p38 MAPK Cancer
    2-Oleoxyphenethyl phosphocholin (compound 1b) is a p38 MAPK inhibitor with anticancer activity. 2-Oleoxyphenethyl phosphocholin may bind to the p38 MAPK lipid-binding pocket and has broad-spectrum anti-tumor and lipid-modulating activities .
    2-Oleoxyphenethyl phosphocholin
  • 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-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-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
  • 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-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 .
    APY29
  • HY-170922
    SARS-CoV-2-IN-110

    		SARS-CoV Infection
    SARS-CoV-2-IN-110 (compound Bb1) is a SARS-CoV-2 inhibitor. SARS-CoV-2-IN-110 exhibits antiviral efficacy against SARS-CoV-2 with an EC50 of 1.10 μM and significantly lower toxicity compared to Lapatinib (HY-50898). SARS-CoV-2-IN-110 inhibits SARS-CoV-2 with a CC50 of > 100 μM, with a selectivity index (SI) of >91 .
    SARS-CoV-2-IN-110
  • HY-156048
    Trifluoromethyl-tubercidin

    TFMT

    		 Influenza Virus Infection
    Trifluoromethyl-tubercidin (TFMT) is a 2'-O-ribose methyltransferase 1 (MTr1) inhibitor through interaction at its S-adenosyl-l-methionine binding pocket to restrict influenza virus replication .
    Trifluoromethyl-tubercidin
  • HY-113734
    CM026

    		Aldehyde Dehydrogenase (ALDH) Others
    CM026 is a selective aldehyde dehydrogenase 1A1 inhibitor with submicromolar inhibitory activity against aldehyde dehydrogenase 1A1. Its inhibitory mechanism is related to binding to the aldehyde binding pocket and utilizing a unique glycine residue. It can be used as a chemical tool to study the role of this enzyme in disease.
    CM026
  • HY-W590564
    Bis-PEG3-biotin

    		Biochemical Assay Reagents Others
    Bis-PEG3-biotin is a biotinylation reagent with two terminal biotin groups. PEG attached to the biotin gives an extended spacer arm that permits the biotin to reach into the binding pocket of the protein or macromolecule.
    Bis-PEG3-biotin
  • 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 .
    Aurora kinase inhibitor-3
  • 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-117103A
    AMG131 benzenesulfonate

    INT131 benzenesulfonate

    		 PPAR Metabolic Disease
    AMG131 (INT131) (benzenesulfonate) is a potent non-thiazolidinedione (TZD) selective peroxisome proliferator-activated receptor γ modulator (SPPARM). AMG131 (benzenesulfonate) 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 (benzenesulfonate) is promising for research of type-2 diabetes mellitus .
    AMG131 benzenesulfonate
  • 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-118902
    Aloisine B

    		CDK Others
    Aloisine B (compound 9) is a cyclin-dependent kinase (CDK) inhibitor. Aloisine B inhibits cell proliferation by arresting cells in both G1 and G2 via competing with ATP-binding pocket .
    Aloisine B
  • 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-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-N12399
    Aplithianines A

    		PKA Inflammation/Immunology
    Aplithianines A is a potent inhibitor against J-PKAcα 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 .
    Aplithianines A
  • HY-145010
    SN-011
    5 Publications Verification

    		 STING Inflammation/Immunology
    SN-011 is a potent and selective mouse and human STING inhibitor, with an IC50 of 76 nM for STING signaling. SN-011 competes with cyclic dinucleotide (CDN) for the binding pocket of the STING dimer, blocking CDN binding and STING activation. SN-011 can be used for the research of STING-driven autoimmune and inflammatory disease .
    SN-011
  • HY-164523
    PV1162

    		Checkpoint Kinase (Chk) Cancer
    PV1162 is a selective Chk2 inhibitor with an IC50 of 0.29 nM. PV1162 inhibits ATP binding to Chk2 by targeting the gatekeeper-dependent hydrophobic pocket, which is specific to Chk2 and located behind the ATP-binding site (adenine-binding region), thereby inhibiting the phosphorylation activity of Chk2. PV1162 holds potential application value in the field of cancer therapy .
    PV1162
  • 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
  • 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-126927
    TTR stabilizer L6

    		Transthyretin (TTR) Neurological Disease
    TTR stabilizer L6 (L6) binds to the T4 binding pocket of transthyretin (TTR), which can prevent the dissociation of TTR to monomer. TTR stabilizer L6 is promising for research of familial amyloid polyneuropathy .
    TTR stabilizer L6
  • HY-W011417
    Cinnabarinic acid

    		Endogenous Metabolite mGluR Apoptosis Others
    Cinnabarinic acid is a specific orthosteric agonist of mGlu4 by interacting with residues of the glutamate binding pocket of mGlu4, has no activity at other mGlu receptors. Cinnabarinic acid is an endogenous metabolite of the kynurenine pathway of tryptophan. Cinnabarinic acid induces cell apoptosis .
    Cinnabarinic acid
  • HY-168591
    CTSC-IN-1

    		Cathepsin Cancer
    CTSC-IN-1 (B22) is a CTSC inhibitor. CTSC-IN-1 inhibits CTSC activity by binding to S2 pocket and S1 site. CTSC-IN-1 can be used in the study inflammatory bowel disease .
    CTSC-IN-1
  • 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 .
    PV1115
  • HY-W837864
    PDK1 allosteric modulator 1

    		PDK-1 Others
    PDK1 allosteric modulator 1 is a molecule targeting PDK1 with a binding affinity of 8 μM. PDK1 allosteric modulator 1 is able to bind to the PIF pocket of PDK1, potentially affecting the biological activity of this kinase .
    PDK1 allosteric modulator 1
  • HY-124060
    PS423

    		PDK-1 Cancer
    PS423 is a prodrug of PS210, acting as a substrate-selective inhibitor of PDK1, inhibiting the phosphorylation and activation of S6K. PS210 is a potent and selective PDK1 activator targeting the PIF binding pocket of PDK1 .
    PS423
  • HY-161443
    TEAD-IN-9

    		YAP Cancer
    TEAD-IN-9 (compound 17) is a TEAD1 inhibitor with an IC50 of 0.29 μM. TEAD-IN-9 targets the palmitoyl pocket of TEAD, thereby effectively inhibiting the binding of YAP-TEAD and blocking the transcriptional function of YAP-TEAD .
    TEAD-IN-9
  • 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 .
    Bozitinib
  • HY-115555
    K-Ras-PDEδ-IN-1

    		Phosphodiesterase (PDE) Cancer
    K-Ras-PDEδ-IN-1 is a novel and potent competitive K-Ras-PDEδ inhibitor. K-Ras-PDEδ-IN-1 binds to the farnesyl binding pocket of PDEδ with a low nanomolar Kd of 8 nM .
    K-Ras-PDEδ-IN-1
  • 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 KDs of 37 nM .
    OD36 hydrochloride
  • 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 KDs of 37 nM .
    OD36
  • HY-161732
    GQN-B37-E

    		Bcl-2 Family Cancer
    GQN-B37-E is a potent selective binder and inhibitor of MCL-1. GQN-B37-E binds to the BH3-domain-binding pocket in MCL-1. GQN-B37-E exhibits binding affinity for MCL-1 at the submicromolar range (Ki = 0.6 μM) without apparent binding to BCL-2 or BCL-XL .
    GQN-B37-E
  • 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 .
    BCR-ABL-IN-7
  • HY-138188
    KRA-533
    1 Publications Verification

    		 Ras Cancer
    KRA-533 is a potent KRAS agonist. KRA-533 binds to the GTP/GDP binding pocket in the KRAS protein to prevent GTP cleavage, resulting in the accumulation of constitutively active GTP-bound KRAS that triggers both apoptotic and autophagic cell death pathways in cancer cells.
    KRA-533
  • HY-168432
    KK181N1

    		Phytohormone Others
    KK181N1 is a potent inhibitor of karrikin (KAR) receptor KAI2. KK181N1 binds to the catalytic pockets of KAI2 in a non-covalent binding manner. KK181N1 selectively depress the KAR-induced phenotypes in Arabidopsis .
    KK181N1
  • HY-N10871
    Neocryptomerin

    		SARS-CoV Cancer
    Neocryptomerin, a biflavonoid, shows inhibitory activity against U251, MCF-7, HeLa cell. Neocryptomerin has favorable binding affinities in the active pocket of SARS-CoV-2. Neocryptomerin is the leading compound of rational compounds against COVID-19 .
    Neocryptomerin
  • 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 .
    FGFR1 inhibitor-9
  • HY-122184
    PET-16

    		HSP Apoptosis Cancer
    PET-16 is a selective HSP70 inhibitor that binds to an allosteric pocket of the substrate-binding domain. PET-16 inhibits the ability of HSP70 to cycle between ATP-bound and ADP-bound states. PET-16 induces apoptosis in multiple myeloma .
    PET-16
  • 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 .
    FGFR1 inhibitor-8
  • HY-101903A
    BMS-309403 sodium
    10+ Cited Publications

    		 FABP Cardiovascular Disease Metabolic Disease
    BMS-309403 sodium is a potent, orally active, and selective adipocyte fatty acid binding protein (also known as FABP4, aP2) inhibitor, with Kis of <2, 250, and 350 nM for FABP4, FABP3, and FABP5, respectively. BMS-309403 sodium interacts with the fatty-acid-binding pocket within the interior of the protein and competitively inhibits the binding of endogenous fatty acids. BMS-309403 sodium improves endothelial function in apolipoprotein E-deficient mice and in cultured human endothelial cells .
    BMS-309403 sodium
  • HY-101903
    BMS-309403
    10+ Cited Publications

    		 FABP Cardiovascular Disease Metabolic Disease
    BMS-309403 is a potent, orally active and selective adipocyte fatty acid binding protein (also known as FABP4, aP2) inhibitor with Kis of <2, 250, and 350 nM for FABP4, FABP3, and FABP5, respectively. BMS-309403 interacts with the fatty-acid-binding pocket within the interior of the protein and competitively inhibits the binding of endogenous fatty acids. BMS-309403 improves endothelial function in apolipoprotein E-deficient mice and in cultured human endothelial cells .
    BMS-309403
  • HY-12011
    HA14-1
    1 Publications Verification

    		 Bcl-2 Family Cancer
    HA14-1 is a Bcl-2/Bcl-XL antagonist. HA14-1 binds the designated pocket on Bcl-2 with the IC50 of ≈9 μM in competing with the Bcl-2 binding of Flu-BakBH3, and inhibits its function.
    HA14-1

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