Approved Ligands
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PF-04971729, Sodium/glucose cotransporter 2 inhibitorCas#: 1210344-57-2 Compound CID: 44814423Formula: C22H25ClO7 Molecular Weight: 436.88IUPAC Name: (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triolSMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)ClInChIKey: MCIACXAZCBVDEE-CUUWFGFTSA-NInChI: InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1Synonyms: (1S,2S,3S,4R,5S)-5-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-1-hydroxymethyl-6,8-dioxabicyclo(3.2.1)octane-2,3,4-triol | ER...
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Ipragliflozin, Sodium/glucose cotransporter 2 inhibitorCas#: 761423-87-4 Compound CID: 10453870Formula: C21H21FO5S Molecular Weight: 404.45IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)FInChIKey: AHFWIQIYAXSLBA-RQXATKFSSA-NInChI: InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1Synonyms: (1S)-1,5-Anhydro-1-c-[3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl]-D-glucitol | MS-26796 | (2S,3R,4R,5S,6R)-2-{3-...
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Dapagliflozin, Inhibitor of Sodium/glucose cotransporter 1;Inhibitor of Sodium/glucose cotransporter 2Cas#: 461432-26-8 Compound CID: 9887712Formula: C21H25ClO6 Molecular Weight: 408.87IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)ClInChIKey: JVHXJTBJCFBINQ-ADAARDCZSA-NInChI: InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1Synonyms: BDBM50448923 | EN300-7407160 | (2S,3R,4R,5S,6R)-2-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-6-hydroxymethyl-tetrahydro-py...
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LX-4211, Sodium/glucose cotransporter 2 inhibitorCas#: 1018899-04-1 Compound CID: 24831714Formula: C21H25ClO5S Molecular Weight: 424.94IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triolSMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)SC)O)O)O)ClInChIKey: QKDRXGFQVGOQKS-CRSSMBPESA-NInChI: InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1Synonyms: A852129 | Sotagliflozin (LX4211) | Sotagliflozin (LX-4211) | 1018899-04-1 | Tox21_501139 | UNII-6B4ZBS263Y | (2S,3R,4...
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Empagliflozin (BI 10773), Sodium/glucose cotransporter 2 inhibitorCas#: 864070-44-0 Compound CID: 11949646Formula: C23H27ClO7 Molecular Weight: 450.91IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)ClInChIKey: OBWASQILIWPZMG-QZMOQZSNSA-NInChI: InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1Synonyms: Empagliflozinum | GTPL4754 | NSC71966 | A852380 | s8022 | C23H27ClO7 | DTXSID601026093 | Empagliflozin [USAN:INN] | S...
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Sunitinib, Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of fms related receptor tyrosine kinase 4;Inhibitor of kinase insert domain receptor;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase;ICas#: 557795-19-4 Compound CID: 5329102Formula: C22H27FN4O2 Molecular Weight: 398.47IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamideSMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)CInChIKey: WINHZLLDWRZWRT-ATVHPVEESA-NInChI: InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-Synonyms: 1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl- | D08552 | C22H27FN4O2 | N-(2-(Diet...
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Tofogliflozin, Inhibitor of Sodium/glucose cotransporter 1;Inhibitor of Sodium/glucose cotransporter 2Cas#: 903565-83-3 Compound CID: 46908929Formula: C22H26O6 Molecular Weight: 386.444IUPAC Name: (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triolSMILES: CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2InChIKey: VWVKUNOPTJGDOB-BDHVOXNPSA-NInChI: InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1Synonyms: DTXSID90238097 | R-7201 | GTPL9395 | RO4998452 | RO-4998452 | AC-31468 | C6H18N3OP | NCGC00485920-01 | CSG 452 | debe...
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Bexgliflozin (EGT1442), Sodium/glucose cotransporter 2 inhibitorCas#: 1118567-05-7 Compound CID: 25195624Formula: C24H29ClO7 Molecular Weight: 464.94IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1CC1OCCOC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)ClInChIKey: BTCRKOKVYTVOLU-SJSRKZJXSA-NInChI: InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1Synonyms: BDBM50349249 | D10865 | Bexagliflozin | (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phen...
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Canagliflozin, Inhibitor of Sodium/glucose cotransporter 1;Inhibitor of Sodium/glucose cotransporter 2Cas#: 842133-18-0 Compound CID: 24812758Formula: C24H25FO5S Molecular Weight: 444.52IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)FInChIKey: XTNGUQKDFGDXSJ-ZXGKGEBGSA-NInChI: InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1Synonyms: JNJ 24831754ZAE | JNJ 28431754AAA | TA 7284 | JNJ 28431754 | (2S,3R,4R,5S,6R)-2-(3-((5-(4-Fluorophenyl)thiophen-2-yl)...
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Ipragliflozin, Sodium/glucose cotransporter 2 inhibitorCas#: 761423-87-4 Compound CID: 10453870Formula: C21H21FO5S Molecular Weight: 404.45IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)FInChIKey: AHFWIQIYAXSLBA-RQXATKFSSA-NInChI: InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1Synonyms: (1S)-1,5-Anhydro-1-c-[3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl]-D-glucitol | MS-26796 | (2S,3R,4R,5S,6R)-2-{3-...
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LX-4211, Sodium/glucose cotransporter 2 inhibitorCas#: 1018899-04-1 Compound CID: 24831714Formula: C21H25ClO5S Molecular Weight: 424.94IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triolSMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)SC)O)O)O)ClInChIKey: QKDRXGFQVGOQKS-CRSSMBPESA-NInChI: InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1Synonyms: Sotagliflozin|1018899-04-1|LX-4211|LX4211|Zynquista|INPEFA|LP-802034|(2s,3r,4r,5s,6r)-2-(4-chloro-3-(4-ethoxybenzyl)p...
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PF-04971729, Sodium/glucose cotransporter 2 inhibitorCas#: 1210344-57-2 Compound CID: 44814423Formula: C22H25ClO7 Molecular Weight: 436.88IUPAC Name: (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triolSMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)ClInChIKey: MCIACXAZCBVDEE-CUUWFGFTSA-NInChI: InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1Synonyms: Ertugliflozin|1210344-57-2|PF-04971729|Steglatro|PF04971729|MK-8835|PF 04971729|(1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-eth...