Approved Ligands
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Ibudilast, Phosphodiesterase 5A inhibitorCas#: 50847-11-5 Compound CID: 3671Formula: C14H18N2O Molecular Weight: 230.31IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-oneSMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)CInChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3Synonyms: FT-0654591 | I 0157 | IBUDILAST [INN] | Ibudilastum | L003042 | SB19092 | UNII-M0TTH61XC5 | DTXSID7049007 | ibudilast...
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Zoledronic Acid, Farnesyl diphosphate synthase inhibitorCas#: 118072-93-8 Compound CID: 68740Formula: C5H10N2O7P2 Molecular Weight: 272.09IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acidSMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)OInChIKey: XRASPMIURGNCCH-UHFFFAOYSA-NInChI: 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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Amrinone, Inhibitor of phosphodiesterase 3A;Inhibitor of phosphodiesterase 3BCas#: 60719-84-8 Compound CID: 3698Formula: C10H9N3O Molecular Weight: 187.2IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-oneSMILES: C1=CN=CC=C1C2=CNC(=O)C(=C2)NInChIKey: RNLQIBCLLYYYFJ-UHFFFAOYSA-NInChI: InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)Synonyms: AKOS005512516 | SPBio_002879 | AMRINONE [VANDF] | GTPL7202 | KBio1_000136 | inamrinone | Tox21_112110 | 3-Amino-5-(4-...
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Anagrelide, Inhibitor of phosphodiesterase 3ACas#: 68475-42-3 Compound CID: 135409400Formula: C10H7Cl2N3O Molecular Weight: 256.09IUPAC Name: 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-oneSMILES: C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3InChIKey: OTBXOEAOVRKTNQ-UHFFFAOYSA-NInChI: InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)Synonyms: AB01566808_01 | ANAGRELIDE [MI] | Anagrelide(13C3) | CCG-221242 | DB00261 | AB00698496-05 | ANAGRELIDE [WHO-DD] | L01...
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AG-120, Isocitrate dehydrogenase [NADP] cytoplasmic inhibitorCas#: 1448347-49-6 Compound CID: 71657455Formula: C28H22ClF3N6O3 Molecular Weight: 582.96IUPAC 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-carboxamideSMILES: 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#NInChIKey: WIJZXSAJMHAVGX-DHLKQENFSA-NInChI: 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/s1Synonyms: Ivosidenib (USAN/INN) | AC-32624 | US9850277, Compound 176 | CS-5122 | (2S)-N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluo...
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Enoximone, Phosphodiesterase 3 inhibitorCas#: 77671-31-9 Compound CID: 53708Formula: C12H12N2O2S Molecular Weight: 248.3IUPAC Name: 4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-oneSMILES: CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SCInChIKey: ZJKNESGOIKRXQY-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)Synonyms: DTXSID8045147 | Enoximone, solid | SCHEMBL44049 | Enoximonum | HMS3369O01 | MDL-17,043 | MLS002172494 | NCGC00015400-...
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Cilostazol, Phosphodiesterase 3A inhibitorCas#: 73963-72-1 Compound CID: 2754Formula: C20H27N5O2 Molecular Weight: 369.46IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-oneSMILES: C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4InChIKey: RRGUKTPIGVIEKM-UHFFFAOYSA-NInChI: InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)Synonyms: 6-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydro-2(1H)-quinolinone | CILOSTAZOL [MART.] | REGID_for_CID_2754 |...
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Ibudilast, Phosphodiesterase 5A inhibitorCas#: 50847-11-5 Compound CID: 3671Formula: C14H18N2O Molecular Weight: 230.31IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-oneSMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)CInChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3Synonyms: ibudilast|50847-11-5|Ketas|KC-404|MN-166|Ibudilastum|Ke Tas|Ibudilastum [Latin]|AV-411|Ibudilast [INN:JAN]|Eyevinal|K...
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Zoledronic Acid, Farnesyl diphosphate synthase inhibitorCas#: 118072-93-8 Compound CID: 68740Formula: C5H10N2O7P2 Molecular Weight: 272.09IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acidSMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)OInChIKey: XRASPMIURGNCCH-UHFFFAOYSA-NInChI: 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...