Approved Ligands

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  1. MK-4827 (Niraparib), Poly [ADP-ribose] polymerase-1 inhibitor
    Cas#: 1038915-60-4        Compound CID:  24958200
    Formula:  C19H20N4O        Molecular Weight: 320.39
    IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
    SMILES: C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N
    InChIKey: PCHKPVIQAHNQLW-CQSZACIVSA-N
    InChI: InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
    Synonyms: 2-(4-(3S)-3-piperidinylphenyl)-2H-indazole-7-carboxamide | 1038915-60-4 | STL556264 | LABETALOL [WHO-DD] | DTXCID8068...
  2. Doxycycline, Inhibitor of MMP7;Inhibitor of MMP8
    Cas#: 564-25-0        Compound CID:  54671203
    Formula:  C22H24N2O8        Molecular Weight: 444.44
    IUPAC Name: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
    SMILES: CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
    InChIKey: SGKRLCUYIXIAHR-AKNGSSGZSA-N
    InChI: InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1
    Synonyms: Doxivetin | 4-Epioxytetracycline, 6-deoxy- | Vibramycin | Deoxymykoin | DMSC (*Fosfatex) | DTXSID80992212 | FT-062544...
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