Bromodomain-containing proteins

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  1. Garcinol, Inhibitor of E1A binding protein p300;Inhibitor of lysine acetyltransferase 2B
    Cas#: 78824-30-3        Compound CID:  5281560
    Formula:  C38H50O6        Molecular Weight: 602.8
    IUPAC Name: (1S,3Z,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
    SMILES: CC(=CCC1CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CC=C(C)C)C(=C)C)C
    InChIKey: DTTONLKLWRTCAB-BZSUNBQASA-N
    InChI: InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-41H,7,13,15,18,20-21H2,1-6,8-10H3/b32-31-/t27-,28+,37+,38-/m0/s1
    Synonyms: Garcinol | CHEBI:5276 | MFCD03700761 | CS-0028887 | (1R,5R,7R)-3-(3,4-Dihydroxybenzyol)-4-hydroxy-8,8-dimethyl-1,7-bi...
  2. XD14, Inhibitor of bromodomain containing 2;Inhibitor of bromodomain containing 3;Inhibitor of bromodomain containing 4;Inhibitor of bromodomain testis associated
    Cas#: 1370888-71-3        Compound CID:  52670832
    Formula:  C20H27N3O5S        Molecular Weight: 421.51
    IUPAC Name: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
    SMILES: CCC1=C(NC(=C1C(=O)C)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)O
    InChIKey: DPBKLIVPNYGQQG-UHFFFAOYSA-N
    InChI: InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26)
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