Approved Ligands
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RE 201, Type-1 angiotensin II receptor antagonistCas#: 254740-64-2 Compound CID: 10257882Formula: C32H40N4O5S Molecular Weight: 592.75IUPAC Name: 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamideSMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCCInChIKey: WRFHGDPIDHPWIQ-UHFFFAOYSA-NInChI: InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)Synonyms: retrophin | BDBM50175523 | GN | Sparsentan [USAN] | sparsentanum | compound 7 (PMID 15634011) | esparsentan | IDI1_00...
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Irbesartan, Antagonist of AT 1 receptor;Inhibitor of Sodium/bile acid and sulphated solute cotransporter 1Cas#: 138402-11-6 Compound CID: 3749Formula: C25H28N6O Molecular Weight: 428.53IUPAC Name: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-oneSMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5InChIKey: YOSHYTLCDANDAN-UHFFFAOYSA-NInChI: InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)Synonyms: BMS-186295 | IRBESARTAN [VANDF] | Irbesartan- Bio-X | HY-B0202 | Irbesartan [USAN:USP:INN:BAN] | NSC758696 | NSC-7586...
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Eprosartan, Antagonist of AT 1 receptorCas#: 133040-01-4 Compound CID: 5281037Formula: C23H24N2O4S Molecular Weight: 424.52IUPAC Name: 4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acidSMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)OInChIKey: OROAFUQRIXKEMV-LDADJPATSA-NInChI: InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+Synonyms: AKOS005552473 | BRD-K67977190-066-01-5 | SK&F 108566 | EPROSARTAN [INN] | BCP9000656 | GTPL3940 | STK618317 | 2KH13Z0...
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Candesartan, Antagonist of AT 1 receptorCas#: 139481-59-7 Compound CID: 2541Formula: C24H20N6O3 Molecular Weight: 440.45IUPAC Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acidSMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OInChIKey: HTQMVQVXFRQIKW-UHFFFAOYSA-NInChI: InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)Synonyms: candesartan | HTQMVQVXFRQIKW-UHFFFAOYSA-N | [3H]candesartan | CANDESARTAN CILEXETIL IMPURITY G [EP IMPURITY] | NCGC00...
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Cobimetinib, Dual specificity mitogen-activated protein kinase kinase 2 inhibitorCas#: 934660-93-2 Compound CID: 16222096Formula: C21H21F3IN3O2 Molecular Weight: 531.31IUPAC Name: [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanoneSMILES: C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)OInChIKey: BSMCAPRUBJMWDF-KRWDZBQOSA-NInChI: InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1Synonyms: Cobimetinib [USAN:INN] | Cobimetinib [USAN] | MEK Inhibitor GDC-0973 | Q15708292 | [3,4-difluoro-2-(2-fluoro-4-iodoan...
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Losartan, Antagonist of AT 1 receptorCas#: 114798-26-4 Compound CID: 3961Formula: C22H23ClN6O Molecular Weight: 422.92IUPAC Name: [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanolSMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)ClInChIKey: PSIFNNKUMBGKDQ-UHFFFAOYSA-NInChI: InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)Synonyms: (2-butyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazol-5-yl)methanol | GTPL3941 | 2-butyl-4-chl...
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Losartan, Antagonist of AT 1 receptorCas#: 114798-26-4 Compound CID: 3961Formula: C22H23ClN6O Molecular Weight: 422.92IUPAC Name: [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanolSMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)ClInChIKey: PSIFNNKUMBGKDQ-UHFFFAOYSA-NInChI: InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)Synonyms: losartan|114798-26-4|DUP 89|allisartan|Angizaar|Losartic|Hyzaar|Cozaar|Lozap|LOSARTAN POTASSIUM|CHEBI:6541|DUP-89|DTX...
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RE 201, Type-1 angiotensin II receptor antagonistCas#: 254740-64-2 Compound CID: 10257882Formula: C32H40N4O5S Molecular Weight: 592.75IUPAC Name: 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamideSMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCCInChIKey: WRFHGDPIDHPWIQ-UHFFFAOYSA-NInChI: InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)Synonyms: sparsentan|254740-64-2|Sparsentan (RE-021)|RE-021|retrophin|PS433540|Sparsentan [USAN]|FILSPARI|PS-433540|UNII-9242RO...
