Approved Ligands

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PF-04971729, Sodium/glucose cotransporter 2 inhibitor
- ≥98%
Cas#: 1210344-57-2 Compound CID: 44814423

Formula: C₂₂H₂₅ClO₇ Molecular Weight: 436.88

IUPAC 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-triol

SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)Cl

InChIKey: MCIACXAZCBVDEE-CUUWFGFTSA-N

InChI: 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/s1

Synonyms: (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 inhibitor
- ≥97%
Cas#: 761423-87-4 Compound CID: 10453870

Formula: C₂₁H₂₁FO₅S Molecular Weight: 404.45

IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)F

InChIKey: AHFWIQIYAXSLBA-RQXATKFSSA-N

InChI: 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/s1

Synonyms: (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 2
- ≥99%
Cas#: 461432-26-8 Compound CID: 9887712

Formula: C₂₁H₂₅ClO₆ Molecular Weight: 408.87

IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl

InChIKey: JVHXJTBJCFBINQ-ADAARDCZSA-N

InChI: 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/s1

Synonyms: BDBM50448923 | EN300-7407160 | (2S,3R,4R,5S,6R)-2-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-6-hydroxymethyl-tetrahydro-py...
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Fenofibrate, Peroxisome proliferator-activated receptor alpha agonist
- ≥98%
Cas#: 49562-28-9 Compound CID: 3339

Formula: C₂₀H₂₁ClO₄ Molecular Weight: 360.83

IUPAC Name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

SMILES: CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChIKey: YMTINGFKWWXKFG-UHFFFAOYSA-N

InChI: InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3

Synonyms: 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester | Fenofibrate (Standard) | FENOFIBRATE [EP ...
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LX-4211, Sodium/glucose cotransporter 2 inhibitor
- ≥98%
Cas#: 1018899-04-1 Compound CID: 24831714

Formula: C₂₁H₂₅ClO₅S Molecular Weight: 424.94

IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol

SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)SC)O)O)O)Cl

InChIKey: QKDRXGFQVGOQKS-CRSSMBPESA-N

InChI: 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/s1

Synonyms: 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 inhibitor
- ≥99%
Cas#: 864070-44-0 Compound CID: 11949646

Formula: C₂₃H₂₇ClO₇ Molecular Weight: 450.91

IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl

InChIKey: OBWASQILIWPZMG-QZMOQZSNSA-N

InChI: 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/s1

Synonyms: Empagliflozinum | GTPL4754 | NSC71966 | A852380 | s8022 | C23H27ClO7 | DTXSID601026093 | Empagliflozin [USAN:INN] | S...
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Tacrolimus(FK506)
- ≥98%
Cas#: 104987-11-3 Compound CID: 445643

Formula: C₄₄H₆₉NO₁₂ Molecular Weight: 804.02

IUPAC Name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

SMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC

InChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-N

InChI: InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1

Synonyms: (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide | CHEBI:93221 | DB00864 | HMS1792O21 | UN...
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Tofogliflozin, Inhibitor of Sodium/glucose cotransporter 1;Inhibitor of Sodium/glucose cotransporter 2
- ≥97%
Cas#: 903565-83-3 Compound CID: 46908929

Formula: C₂₂H₂₆O₆ Molecular Weight: 386.444

IUPAC 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'-triol

SMILES: CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2

InChIKey: VWVKUNOPTJGDOB-BDHVOXNPSA-N

InChI: 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/s1

Synonyms: 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 inhibitor
- ≥97%
Cas#: 1118567-05-7 Compound CID: 25195624

Formula: C₂₄H₂₉ClO₇ Molecular Weight: 464.94

IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: C1CC1OCCOC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl

InChIKey: BTCRKOKVYTVOLU-SJSRKZJXSA-N

InChI: 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/s1

Synonyms: 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 2
- ≥98%
Cas#: 842133-18-0 Compound CID: 24812758

Formula: C₂₄H₂₅FO₅S Molecular Weight: 444.52

IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F

InChIKey: XTNGUQKDFGDXSJ-ZXGKGEBGSA-N

InChI: 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/s1

Synonyms: 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 inhibitor
- 10mM in DMSO
Cas#: 761423-87-4 Compound CID: 10453870

Formula: C₂₁H₂₁FO₅S Molecular Weight: 404.45

IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)F

InChIKey: AHFWIQIYAXSLBA-RQXATKFSSA-N

InChI: 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/s1

Synonyms: (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 inhibitor
- 10mM in DMSO
Cas#: 1018899-04-1 Compound CID: 24831714

Formula: C₂₁H₂₅ClO₅S Molecular Weight: 424.94

IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol

SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)SC)O)O)O)Cl

InChIKey: QKDRXGFQVGOQKS-CRSSMBPESA-N

InChI: 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/s1

Synonyms: 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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