Approved Ligands
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Sivelestat, Leukocyte elastase inhibitorCas#: 127373-66-4 Compound CID: 107706Formula: C20H22N2O7S Molecular Weight: 434.46IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acidSMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)OInChIKey: BTGNGJJLZOIYID-UHFFFAOYSA-NInChI: InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)Synonyms: dl-N-Acetylhomocysteinethiolactone | ONO5046;LY544349;EI546 | SIVELESTAT [INN] | SIVELESTAT [MART.] | 2,2-Dimethyl-pr...
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Dasatinib, Bcr/Abl fusion proteinCas#: 302962-49-8 Compound CID: 3062316Formula: C22H26ClN7O2S Molecular Weight: 488.01IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamideSMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCOInChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-NInChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)Synonyms: BMS 354825 | AR-270/43507994 | Dasatinib (JAN/INN) | HMS3744C11 | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHY...
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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 oCas#: 284461-73-0 Compound CID: 216239Formula: C21H16ClF3N4O3 Molecular Weight: 464.83IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamideSMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)FInChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-NInChI: 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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Sivelestat sodium salt hydrate, Leukocyte elastase inhibitorCas#: 127373-66-4 Compound CID: 107706Formula: C20H22N2O7S Molecular Weight: 434.46IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acidSMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)OInChIKey: BTGNGJJLZOIYID-UHFFFAOYSA-NInChI: InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)Synonyms: dl-N-Acetylhomocysteinethiolactone | ONO5046;LY544349;EI546 | SIVELESTAT [INN] | SIVELESTAT [MART.] | 2,2-Dimethyl-pr...
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Tapinarof, Aryl hydrocarbon receptor agonistCas#: 79338-84-4 Compound CID: 6439522Formula: C17H18O2 Molecular Weight: 254.32IUPAC Name: 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diolSMILES: CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)OInChIKey: ZISJNXNHJRQYJO-CMDGGOBGSA-NInChI: InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+Synonyms: Benvitimod|Tapinarof|79338-84-4|3,5-Dihydroxy-4-isopropylstilbene|Vtama|WBI-1001|GSK2894512|3,5-DH4IS|WBI 1001|GSK-28...
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Tapinarof, Aryl hydrocarbon receptor agonistCas#: 79338-84-4 Compound CID: 6439522Formula: C17H18O2 Molecular Weight: 254.32IUPAC Name: 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diolSMILES: CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)OInChIKey: ZISJNXNHJRQYJO-CMDGGOBGSA-NInChI: InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+Synonyms: 5-((1E)-2-PHENYLETHEN-1-YL)-2-(PROPAN-2-YL)BENZENE-1,3-DIOL | Tapinarof (USAN) | 5-[(1E)-2-Phenylethen-1-yl]-2-(propa...
