Approved Ligands

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  1. Pimozide, Dopamine receptor antagonist
    Cas#: 2062-78-4        Compound CID:  16362
    Formula:  C28H29F2N3O        Molecular Weight: 461.55
    IUPAC Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
    SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
    InChIKey: YVUQSNJEYSNKRX-UHFFFAOYSA-N
    InChI: InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
    Synonyms: Orap | R6238 | MLS000028410 | Pimozidum | PIMOZIDE [USP MONOGRAPH] | Prestwick0_000308 | HMS501D08 | Opiran | BSPBio_...
  2. 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...
  3. Pimozide, Dopamine receptor antagonist
    Cas#: 2062-78-4        Compound CID:  16362
    Formula:  C28H29F2N3O        Molecular Weight: 461.55
    IUPAC Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
    SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
    InChIKey: YVUQSNJEYSNKRX-UHFFFAOYSA-N
    InChI: InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
    Synonyms: MLS000028410 | Pimozidum | PIMOZIDE [USP MONOGRAPH] | Prestwick0_000308 | HMS501D08 | Opiran | BSPBio_001439 | GTPL90...
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