Approved Ligands
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Dexmedetomidine, Agonist of α 2A-adrenoceptor;Agonist of α 2B-adrenoceptor;Agonist of α 2C-adrenoceptorCas#: 113775-47-6 Compound CID: 5311068Formula: C13H16N2 Molecular Weight: 200.28IUPAC Name: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazoleSMILES: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)CInChIKey: CUHVIMMYOGQXCV-NSHDSACASA-NInChI: InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1Synonyms: (S)-5-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole | 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole | DEXMEDETOMIDIN...
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Dicoumarol, Inhibitor of vitamin K epoxide reductase complex subunit 1Cas#: 66-76-2 Compound CID: 54676038Formula: C19H12O6 Molecular Weight: 336.3IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-oneSMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)OInChIKey: DOBMPNYZJYQDGZ-UHFFFAOYSA-NInChI: InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2Synonyms: 2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy- | Di-4-hydroxy-3,3'-methylenedicoumarin | Temparin | 3,3'-Methyle...
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Mirtazapine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of α 2A-adrenoceptor;Antagonist of α 2B-adrenoceptor;Antagonist of α 2C-adrenoceptorCas#: 61337-67-5 Compound CID: 4205Formula: C17H19N3 Molecular Weight: 265.35IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaeneSMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-NInChI: InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3Synonyms: 1,2,3,4,10,14b-Hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c](2)benzazepine | Avanza | CCG-220556 | Mirtazapine (JAN/...
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danazol, Agonist of Androgen receptorCas#: 17230-88-5 Compound CID: 28417Formula: C22H27NO2 Molecular Weight: 337.46IUPAC Name: (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-olSMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5InChIKey: POZRVZJJTULAOH-LHZXLZLDSA-NInChI: InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1Synonyms: 17.Alpha.-Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol} | N29QWW3BUO | (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimet...
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1,2,3,4-Tetrahydroacridin-9-amine, Inhibitor of acetylcholinesterase (Cartwright blood group);Inhibitor of butyrylcholinesterase;Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptorCas#: 321-64-2 Compound CID: 1935Formula: C13H14N2 Molecular Weight: 198.26IUPAC Name: 1,2,3,4-tetrahydroacridin-9-amineSMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)NInChIKey: YLJREFDVOIBQDA-UHFFFAOYSA-NInChI: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)Synonyms: Acridine, 9-amino-1,2,3,4-tetrahydro- | KBioGR_001337 | NCGC00015054-06 | SY138494 | Tetrahydroaminoacridine | Acridi...
