Approved Ligands

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  1. Paroxetine, Serotonin transporter inhibitor
    Cas#: 61869-08-7        Compound CID:  43815
    Formula:  C19H20FNO3        Molecular Weight: 329.37
    IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
    SMILES: C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
    InChIKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N
    InChI: InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
    Synonyms: (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine | AB00514724 | BRL-29060 | DB00715 | (-)-tra...
  2. Nomifensine, Inhibitor of DAT;Inhibitor of NET
    Cas#: 24526-64-5        Compound CID:  4528
    Formula:  C16H18N2        Molecular Weight: 238.33
    IUPAC Name: 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
    SMILES: CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3
    InChIKey: XXPANQJNYNUNES-UHFFFAOYSA-N
    InChI: InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
    Synonyms: 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-8-isoquinolinamine 2-butenedioate | 8-Isoquinolinamine, 1,2,3,4-tetrahydro-2-met...
  3. tamsulosin, Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptor
    Cas#: 106133-20-4        Compound CID:  129211
    Formula:  C20H28N2O5S        Molecular Weight: 408.52
    IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
    SMILES: CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N
    InChIKey: DRHKJLXJIQTDTD-OAHLLOKOSA-N
    InChI: InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
    Synonyms: (r)-5-(2-(2-(2-ethoxyphenoxy)ethylamino)propyl)-2-methoxybenzenesulfonamide | G04CA02 | SMR004703489 | TAMSULOSIN [WH...
  4. Cabergoline, Dopamine D2 receptor agonist
    Cas#: 81409-90-7        Compound CID:  54746
    Formula:  C26H37N5O2        Molecular Weight: 451.6
    IUPAC Name: (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
    SMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C
    InChIKey: KORNTPPJEAJQIU-KJXAQDMKSA-N
    InChI: InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
    Synonyms: Cabergoline 1000 microg/mL in Acetonitrile | Cabergoline, European Pharmacopoeia (EP) Reference Standard | Tox21_1125...
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