Bromodomain-containing proteins

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  1. BAZ2-ICR, Inhibitor of bromodomain adjacent to zinc finger domain 2A;Inhibitor of bromodomain adjacent to zinc finger domain 2B
    Cas#: 1665195-94-7        Compound CID:  91654625
    Formula:  C20H19N7        Molecular Weight: 357.41
    IUPAC Name: 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzonitrile
    SMILES: CN1C=C(C=N1)CCN2C=NC(=C2C3=CC=C(C=C3)C#N)C4=CN(N=C4)C
    InChIKey: RRZVGDGTWNQAPW-UHFFFAOYSA-N
    InChI: InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3
  2. GSK 2801, Inhibitor of bromodomain adjacent to zinc finger domain 2A;Inhibitor of bromodomain adjacent to zinc finger domain 2B
    Cas#: 1619994-68-1        Compound CID:  73010930
    Formula:  C20H21NO4S        Molecular Weight: 371.45
    IUPAC Name: 1-[1-(2-methylsulfonylphenyl)-7-propoxyindolizin-3-yl]ethanone
    SMILES: CCCOC1=CC2=C(C=C(N2C=C1)C(=O)C)C3=CC=CC=C3S(=O)(=O)C
    InChIKey: KHWCPNJRJCNVRI-UHFFFAOYSA-N
    InChI: InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
  3. NI-57, bromodomain and PHD finger containing 1;bromodomain and PHD finger containing 3;Inhibitor of bromodomain containing 1
    Cas#: 1883548-89-7        Compound CID:  91827373
    Formula:  C19H17N3O4S        Molecular Weight: 383.42
    IUPAC Name: 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
    SMILES: CC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C=C3)C#N)OC)N(C1=O)C
    InChIKey: UEMQPCYDWCSVCU-UHFFFAOYSA-N
    InChI: InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
  4. 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]benzonitrile, Inhibitor of bromodomain adjacent to zinc finger domain 2B
    IUPAC Name: 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]benzonitrile
    SMILES: N#Cc1ccc(cc1)c1n(cnc1c1ccccc1)CCn1nnc(c1)C
    InChIKey: OAPIWVHFYSEARE-UHFFFAOYSA-N
    InChI: InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3
  5. NI-57, bromodomain and PHD finger containing 1;bromodomain and PHD finger containing 3;Inhibitor of bromodomain containing 1
    IUPAC Name: 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
    SMILES: COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C
    InChIKey: UEMQPCYDWCSVCU-UHFFFAOYSA-N
    InChI: InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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