Approved Ligands
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Tamoxifen, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen receptor-β;Agonist of GPERCas#: 10540-29-1Formula: C26H29NO Molecular Weight: 371.51IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamineSMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-NInChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-Synonyms: (Z)-Tamoxifen | ICI 47699 | trans-Tamoxifen
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Phentolamine, Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptor;Antagonist of α 2A-adrenoceptor;Antagonist of α 2B-adrenoceptor;Antagonist of α 2C-adrenoceptorCas#: 50-60-2 Compound CID: 5775Formula: C17H19N3O Molecular Weight: 281.357IUPAC Name: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenolSMILES: CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)OInChIKey: MRBDMNSDAVCSSF-UHFFFAOYSA-NInChI: InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)Synonyms: 3-(((4,5-Dihydro-1H-imidazol-2-yl)methyl)(p-tolyl)amino)phenol | 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylan...
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Ondansetron, Serotonin 3a (5-HT3a) receptor antagonistCas#: 99614-02-5 Compound CID: 4595Formula: C18H19N3O Molecular Weight: 293.36IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-oneSMILES: CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3CInChIKey: FELGMEQIXOGIFQ-UHFFFAOYSA-NInChI: InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3Synonyms: BRN 3622981 | HSDB 8304 | GR38032 | GR-38032 | GR-C507/75 | Zofran | AKOS016340526 | Odansetron (common misspelling o...
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Imatinib (STI571), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2Cas#: 152459-95-5 Compound CID: 5291Formula: C29H31N7O Molecular Weight: 493.6IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamideSMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-NInChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)Synonyms: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CGP-57148 | ...
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Raloxifene, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Antagonist of Estrogen receptor-β;Agonist of GPERCas#: 84449-90-1 Compound CID: 5035Formula: C28H27NO4S Molecular Weight: 473.58IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanoneSMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OInChIKey: GZUITABIAKMVPG-UHFFFAOYSA-NInChI: InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2Synonyms: cid_11071264 | CS-0007764 | Keoxifene; LY 139481; | Lopac0_001051 | CAS-84449-90-1 | GTPL2820 | NCGC00015889-04 | NCG...
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Guanfacine, Agonist of α 2A-adrenoceptor;Agonist of α 2B-adrenoceptor;Agonist of α 2C-adrenoceptorCas#: 29110-47-2 Compound CID: 3519Formula: C9H9Cl2N3O Molecular Weight: 246.09IUPAC Name: N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamideSMILES: C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)ClInChIKey: INJOMKTZOLKMBF-UHFFFAOYSA-NInChI: InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)Synonyms: L013430 | Lopac-G-1043 | Prestwick0_000339 | C07037 | CAS_29110-47-2 | NSC-759121 | HY-17416A | N-amidino-2-(2,6-dich...
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Raloxifene, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Antagonist of Estrogen receptor-β;Agonist of GPERCas#: 84449-90-1 Compound CID: 5035Formula: C28H27NO4S Molecular Weight: 473.58IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanoneSMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OInChIKey: GZUITABIAKMVPG-UHFFFAOYSA-NInChI: InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2Synonyms: raloxifene|84449-90-1|Keoxifene|Raloxifenum|Raloxifeno|Raloxifenum [Latin]|Raloxifeno [Spanish]|Pharoxifene|Raloxiphe...
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Trifluoperazine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of D 2 receptor;Antagonist of D 4 receptor;Antagonist of H 1 receptorCas#: 117-89-5 Compound CID: 5566Formula: C21H24N3F3S Molecular Weight: 407.49IUPAC Name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazineSMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)FInChIKey: ZEWQUBUPAILYHI-UHFFFAOYSA-NInChI: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3Synonyms: 2-TRIFLUOROMETHYL-10- | KBioSS_000530 | Trifluroperizine | RP 7623 | BSPBio_002928 | Phenothiazine, 10-(3-(4-methyl-1...
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Trifluoperazine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of D 2 receptor;Antagonist of D 4 receptor;Antagonist of H 1 receptorCas#: 117-89-5 Compound CID: 5566Formula: C21H24N3F3S Molecular Weight: 407.49IUPAC Name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazineSMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)FInChIKey: ZEWQUBUPAILYHI-UHFFFAOYSA-NInChI: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3Synonyms: trifluoperazine|Trifluperazine|117-89-5|Trifluoroperazine|Trifluoperazin|Flurazine|Triflurin|Triperazine|Trifluoperaz...
