Approved Ligands

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Rapamycin
- ≥95%(HPLC)
Cas#: 53123-88-9

Formula: C₅₁H₇₉NO₁₃ Molecular Weight: 914.19

IUPAC Name: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC

InChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-N

InChI: InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1

Synonyms: AY 22989 | AY-22989 | CHEBI:9168 | EC 610-965-5 | HMS2089A21 | RAPA | (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,...
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Everolimus, FK506-binding protein 1A inhibitor
- ≥98%
Cas#: 159351-69-6 Compound CID: 6442177

Formula: C₅₃H₈₃NO₁₄ Molecular Weight: 958.25

IUPAC Name: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC

InChIKey: HKVAMNSJSFKALM-GKUWKFKPSA-N

InChI: InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1

Synonyms: EVEROLIMUS (USP-RS) | EVEROLIMUS [MI] | Votubia | 5-methyl-5-phenyl-barbituric acid | DTXCID8020599 | EVEROLIMUS [VAN...
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Diclofenac, Cyclooxygenase inhibitor
- ≥98%
Cas#: 15307-86-5 Compound CID: 3033

Formula: C₁₄H₁₁Cl₂NO₂ Molecular Weight: 296.15

IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid

SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl

InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N

InChI: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)

Synonyms: CHEBI:47381 | DICLOFENAC (MART.) | DTXSID6022923 | 15307-86-5 (free) | UNII-144O8QL0L1 | ACETIC ACID, (o-(2,6-DICHLOR...
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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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Sildenafil, Inhibitor of ABCC5;Inhibitor of OATP1B3;Inhibitor of OATP2B1;Inhibitor of phosphodiesterase 5A;Inhibitor of phosphodiesterase 6C
- ≥98%
Cas#: 139755-83-2 Compound CID: 135398744

Formula: C₂₂H₃₀N₆O₄S Molecular Weight: 474.58

IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

SMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C

InChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-N

InChI: InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)

Synonyms: SMR004703325 | Sildenafil- Bio-X | DTXCID003579 | G04BE03 | HSDB 7305 | Spectrum3_001892 | UK-92480 | sildenafilum | ...
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Sorafenib, Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8;Inhibitor of discoidin domain receptor tyrosine kinase 2;Inhibitor of fibroblast growth factor receptor 1;Inhibitor o
- ≥99%
Cas#: 284461-73-0 Compound CID: 216239

Formula: C₂₁H₁₆ClF₃N₄O₃ Molecular Weight: 464.83

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

InChI: InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)

Synonyms: 4(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide | SCHEMBL8218 | L01X...
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Cabozantinib (XL184, BMS-907351), Inhibitor of kinase insert domain receptor;Inhibitor of MET proto-oncogene; receptor tyrosine kinase;Inhibitor of ret proto-oncogene
- ≥98%
Cas#: 849217-68-1 Compound CID: 25102847

Formula: C₂₈H₂₄FN₃O₅ Molecular Weight: 501.52

IUPAC Name: 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

SMILES: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F

InChIKey: ONIQOQHATWINJY-UHFFFAOYSA-N

InChI: InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)

Synonyms: BDBM50021574 | N-[4-[(6,7-Dimethoxyquinolin-4-yl)oxy]phenyl]-N inverted exclamation mark -(4-fluorophenyl)cyclopropan...
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Meclofenamic Acid, Inhibitor of COX-1;Inhibitor of COX-2;Channel blocker of TRPM4
- ≥98%
Cas#: 644-62-2 Compound CID: 4037

Formula: C₁₄H₁₁Cl₂NO₂ Molecular Weight: 296.15

IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoic acid

SMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl

InChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-N

InChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)

Synonyms: KBio2_003941 | 2-((2,6-Dichloro-3-methylphenyl)amino)benzoic acid | Arquel Tablets | DTXSID0048559 | GTPL7219 | SBI-0...
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Tacrolimus（anhydrous）(FK506), Inhibitor of FKBP prolyl isomerase 1A;Activator of TRPM8
- ≥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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