Bromodomain-containing proteins

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  1. (-)-Epigallocatechin gallate, Inhibitor of dual specificity tyrosine phosphorylation regulated kinase 1A;Inhibitor of E1A binding protein p300;Agonist of TAS2R5;Inhibitor of lysine acetyltransferase 2B
    Cas#: 989-51-5        Compound CID:  65064
    Formula:  C22H18O11        Molecular Weight: 458.37
    IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N
    InChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
    Synonyms: EGCG | EPIGALLOCATECHIN GALLATE [INCI] | Epigallocic acid | NCGC00164319-04 | EGCG | NCGC00164319-01 | UNII-BQM438CTE...
  2. 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
  3. MS363, Inhibitor of bromodomain containing 3;Inhibitor of bromodomain PHD finger transcription factor
    IUPAC Name: 4-[(2E)-2-(2-amino-3-chloro-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-N-pyridin-2-ylbenzenesulfonamide
    SMILES: NC1=C(Cl)C(=O)C(=C/C/1=N\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)C
    InChIKey: GLWPTCULLHMSCO-OEAKJJBVSA-N
    InChI: InChI=1S/C18H16ClN5O3S/c1-11-10-14(17(20)16(19)18(11)25)23-22-12-5-7-13(8-6-12)28(26,27)24-15-4-2-3-9-21-15/h2-10,22H,20H2,1H3,(H,21,24)/b23-14+
    Synonyms: MS363|CHEMBL3086885|4-[(2E)-2-(2-amino-3-chloro-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-N-pyridin-2-yl...
  4. 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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