Approved Ligands

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  1. Zoledronic Acid, Farnesyl diphosphate synthase inhibitor
    Cas#: 118072-93-8        Compound CID:  68740
    Formula:  C5H10N2O7P2        Molecular Weight: 272.09
    IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
    SMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N
    InChI: InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
    Synonyms: 70HZ18PH24 | CAS-118072-93-8 | SR-05000001436 | (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid | D08689...
  2. Tolvaptan, Vasotocin V2 receptor antagonist
    Cas#: 150683-30-0        Compound CID:  216237
    Formula:  C26H25ClN2O3        Molecular Weight: 448.94
    IUPAC Name: N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
    SMILES: CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C
    InChIKey: GYHCTFXIZSNGJT-UHFFFAOYSA-N
    InChI: InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
    Synonyms: (R)-N-(4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide | C0...
  3. Zoledronic Acid, Farnesyl diphosphate synthase inhibitor
    Cas#: 118072-93-8        Compound CID:  68740
    Formula:  C5H10N2O7P2        Molecular Weight: 272.09
    IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
    SMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N
    InChI: InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
    Synonyms: 70HZ18PH24 | CAS-118072-93-8 | SR-05000001436 | (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid | D08689...
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