Approved Ligands
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Hydrocortisone, Agonist of Glucocorticoid receptor;Agonist of Mineralocorticoid receptorCas#: 50-23-7 Compound CID: 5754Formula: C21H30O5 Molecular Weight: 362.46IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-oneSMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)OInChIKey: JYGXADMDTFJGBT-VWUMJDOOSA-NInChI: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1Synonyms: Cortisporin Otico | Evacort | Barseb HC | Cortenema | Penecort | Permicort | Synacort | Epiderm H | Polcort H | Timoc...
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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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Digitoxin, Sodium/potassium-transporting ATPase inhibitorCas#: 71-63-6 Compound CID: 441207Formula: C41H64O13 Molecular Weight: 764.94IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-oneSMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)OInChIKey: WDJUZGPOPHTGOT-XUDUSOBPSA-NInChI: InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1Synonyms: NCGC00096198-01 | CAS-71-63-6 | Digitalis | Digicor | Digitoxigenin tridigitoxoside | DigitoXin, USP | Mono-digitoxid...
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ProgesteroneCas#: 57-83-0 Compound CID: 5994Formula: C21H30O2 Molecular Weight: 314.47IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneSMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-NInChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1Synonyms: Progestron | Progestone | Progestin | Pregnenedione | Prometrium | Corlutin | 4-Pregnene-3,20-dione | Syngesterone | ...
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Progesterone solution, Progesterone receptor agonistCas#: 57-83-0 Compound CID: 5994Formula: C21H30O2 Molecular Weight: 314.47IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneSMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-NInChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1Synonyms: Luteodyn | Progestron | Cyclogesterin | Hormoluton | Lucorteum | Utrogest | Gynolutone | Progesteronum [INN-Latin] | ...
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Progesterone, Activator of CatSper1;Activator of CatSper2;Activator of CatSper3;Activator of CatSper4;Antagonist of Mineralocorticoid receptor;Agonist of Progesterone receptor;Channel blocker of TRPC5Cas#: 57-83-0 Compound CID: 5994Formula: C21H30O2 Molecular Weight: 314.47IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneSMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-NInChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1Synonyms: Luteodyn | Progestron | Cyclogesterin | Hormoluton | Lucorteum | Utrogest | Gynolutone | Progesteronum [INN-Latin] | ...
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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...
