Approved Ligands
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Diltiazem, Channel blocker of 5-HT 3A;Channel blocker of Ca v1.1;Channel blocker of Ca v1.2;Channel blocker of Ca v1.3;Channel blocker of Ca v1.4;Channel blocker of K v1.1;Channel blocker of K v1.2;Channel blocker of K v1.5;Channel blocker of K v1.7;Channel blockerCas#: 42399-41-7 Compound CID: 39186Formula: C22H26N2O4S Molecular Weight: 414.52IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetateSMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OCInChIKey: HSUGRBWQSSZJOP-RTWAWAEBSA-NInChI: InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1Synonyms: diltiazem | NCGC00024309-02 | tetrahydrobenzo | DILTIAZEM [INN] | Diltiazemum (INN-Latin) | [(2S,3S)-5-(2-dimethylami...
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Alvimopan, Mu opioid receptor antagonistCas#: 156053-89-3 Compound CID: 5488548Formula: C25H32N2O4 Molecular Weight: 424.53IUPAC Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acidSMILES: CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)OInChIKey: UPNUIXSCZBYVBB-JVFUWBCBSA-NInChI: InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1Synonyms: 2-[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamido]acetic acid | EN300-7393122 | ...
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Fluoxetine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 6 receptor;Channel blocker of CaCC;Gating inhibitor of K ir3.2;Gating inhibitor of K v3.1;Inhibitor of Plasma membrane monoamine transporter;InCas#: 54910-89-3Formula: C17H18F3NO Molecular Weight: 309.33IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineSMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)FInChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-NInChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3Synonyms: (±)-N-Methyl-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine | N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propy...
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Terfenadine, Inhibitor of CYP2J2;Antagonist of H 1 receptor;Channel blocker of K v10.1;Channel blocker of K v11.1Cas#: 50679-08-8 Compound CID: 5405Formula: C32H41NO2 Molecular Weight: 471.67IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-olSMILES: CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OInChIKey: GUGOEEXESWIERI-UHFFFAOYSA-NInChI: InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3Synonyms: HMS3263D08 | HSDB 6508 | SCHEMBL5152 | SDCCGSBI-0051180.P004 | 1-(4-tert-Butylphenyl)-4-(4-(alpha-hydroxybenzhydryl)p...
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Solifenacin (YM905), Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptorCas#: 242478-37-1 Compound CID: 154059Formula: C23H26N2O2 Molecular Weight: 362.48IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylateSMILES: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5InChIKey: FBOUYBDGKBSUES-VXKWHMMOSA-NInChI: InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1Synonyms: Solifenacin|242478-37-1|Soliten|(+)-Solifenacin|UNII-A8910SQJ1U|Solifenacin (INN)|A8910SQJ1U|YM-905|NSC-759144|[(3R)-...
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Solifenacin (YM905), Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptorCas#: 242478-37-1 Compound CID: 154059Formula: C23H26N2O2 Molecular Weight: 362.48IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylateSMILES: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5InChIKey: FBOUYBDGKBSUES-VXKWHMMOSA-NInChI: InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1Synonyms: solifenacine | A16947 | Solifenacin (INN) | SCHEMBL9971260 | Solifenacina | (3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1...
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Verapamil, Channel blocker of Ca v1.1;Channel blocker of Ca v1.2;Gating inhibitor of Ca v1.2;Channel blocker of Ca v1.3;Channel blocker of Ca v1.4;Inhibitor of CYP3A4;Gating inhibitor of K ir3.2;Channel blocker of K v1.7;Channel blocker of K v1.8;Channel blocker ofCas#: 52-53-9 Compound CID: 2520Formula: C27H38N2O4 Molecular Weight: 454.6IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrileSMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OCInChIKey: SGTNSNPWRIOYBX-UHFFFAOYSA-NInChI: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3Synonyms: 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | 5-((3,4-Dimet...