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. AG-120, Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
    Cas#: 1448347-49-6        Compound CID:  71657455
    Formula:  C28H22ClF3N6O3        Molecular Weight: 582.96
    IUPAC Name: (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
    SMILES: C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N
    InChIKey: WIJZXSAJMHAVGX-DHLKQENFSA-N
    InChI: InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1
    Synonyms: Ivosidenib (USAN/INN) | AC-32624 | US9850277, Compound 176 | CS-5122 | (2S)-N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluo...
  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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