Approved Ligands

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  1. Sunitinib, Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of fms related receptor tyrosine kinase 4;Inhibitor of kinase insert domain receptor;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase;I
    Cas#: 557795-19-4        Compound CID:  5329102
    Formula:  C22H27FN4O2        Molecular Weight: 398.47
    IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
    SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
    InChIKey: WINHZLLDWRZWRT-ATVHPVEESA-N
    InChI: InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
    Synonyms: 1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl- | D08552 | C22H27FN4O2 | N-(2-(Diet...
  2. Tapinarof, Aryl hydrocarbon receptor agonist
    Cas#: 79338-84-4        Compound CID:  6439522
    Formula:  C17H18O2        Molecular Weight: 254.32
    IUPAC Name: 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
    SMILES: CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O
    InChIKey: ZISJNXNHJRQYJO-CMDGGOBGSA-N
    InChI: InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
    Synonyms: Benvitimod|Tapinarof|79338-84-4|3,5-Dihydroxy-4-isopropylstilbene|Vtama|WBI-1001|GSK2894512|3,5-DH4IS|WBI 1001|GSK-28...
  3. Tapinarof, Aryl hydrocarbon receptor agonist
    Cas#: 79338-84-4        Compound CID:  6439522
    Formula:  C17H18O2        Molecular Weight: 254.32
    IUPAC Name: 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
    SMILES: CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O
    InChIKey: ZISJNXNHJRQYJO-CMDGGOBGSA-N
    InChI: InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
    Synonyms: 5-((1E)-2-PHENYLETHEN-1-YL)-2-(PROPAN-2-YL)BENZENE-1,3-DIOL | Tapinarof (USAN) | 5-[(1E)-2-Phenylethen-1-yl]-2-(propa...
  4. Sunitinib
    Cas#: 557795-19-4        Compound CID:  5329102
    Formula:  C22H27FN4O2        Molecular Weight: 398.47
    IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
    SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
    InChIKey: WINHZLLDWRZWRT-ATVHPVEESA-N
    InChI: InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
    Synonyms: 1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl- | D08552 | C22H27FN4O2 | N-(2-(Diet...
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