Approved Ligands
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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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Chlorpromazine, D2-like dopamine receptor antagonistCas#: 50-53-3 Compound CID: 2726Formula: C17H19ClN2S Molecular Weight: 318.9IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amineSMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)ClInChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-NInChI: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3Synonyms: Ampliactil | chlorpromazine | Clorpromazina | Chlordelazin | HL 5746 | NSC-226514 | Cromedazine | Fraction AB | 2-chl...
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Labetalol, Antagonist of α 1D-adrenoceptor;Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptorCas#: 36894-69-6 Compound CID: 3869Formula: C19H24N2O3 Molecular Weight: 328.41IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamideSMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)OInChIKey: SGUAFYQXFOLMHL-UHFFFAOYSA-NInChI: InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)Synonyms: LABETALOL [VANDF] | NINDS_000474 | BRD-A07440155-003-05-6 | DS-4652 | KBio3_002642 | Labetolol | NCGC00015595-12 | NC...
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Prazosin, 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#: 19216-56-9 Compound CID: 4893Formula: C19H21N5O4 Molecular Weight: 383.4IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanoneSMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OCInChIKey: IENZQIKPVFGBNW-UHFFFAOYSA-NInChI: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)Synonyms: HMS1792D17 | KBio2_001302 | Prazosin [INN:BAN] | Prazosine | Prestwick0_000947 | Spectrum5_001365 | BCBcMAP01_000227 ...
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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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Fluphenazine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor;Antagonist of D 1 receptor;Antagonist of D 2 receptor;Antagonist of D 5 receptor;Antagonist of H 1 receptorCas#: 69-23-8 Compound CID: 3372Formula: C22H26F3N3OS Molecular Weight: 437.53IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanolSMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOInChIKey: PLDUPXSUYLZYBN-UHFFFAOYSA-NInChI: InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2Synonyms: Siqualine | 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]- | BDBM78433 | KBio2_007522 | SP...
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Terazosin, Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptorCas#: 63590-64-7 Compound CID: 5401Formula: C19H25N5O4 Molecular Weight: 387.43IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanoneSMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OCInChIKey: VCKUSRYTPJJLNI-UHFFFAOYSA-NInChI: InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)Synonyms: C19H25N5O4 | REGID_for_CID_5401 | 6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinazolin-4-amine | 6,7-Dime...
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L-Noradrenaline, Agonist of α 1A-adrenoceptor;Agonist of α 1B-adrenoceptor;Agonist of α 1D-adrenoceptor;Agonist of α 2A-adrenoceptor;Agonist of α 2B-adrenoceptor;Agonist of α 2C-adrenoceptor;Agonist of β 1-adrenoceptor;Agonist of β 2-adrenoceptor;Agonist of β 3-adrenoceptCas#: 51-41-2 Compound CID: 439260Formula: C8H11NO3 Molecular Weight: 169.18IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diolSMILES: C1=CC(=C(C=C1C(CN)O)O)OInChIKey: SFLSHLFXELFNJZ-QMMMGPOBSA-NInChI: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1Synonyms: (-)-Noradrec | Nor adrenalin | NOREPINEPHRINE [INN] | Sympathin E | NORADRENALINE [JAN] | NOREPINEPHRINE (USP IMPURIT...
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alpha-methyl-L-tyrosine, Tyrosine 3-hydroxylase inhibitorCas#: 672-87-7 Compound CID: 441350Formula: C10H13NO3 Molecular Weight: 195.22IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acidSMILES: CC(CC1=CC=C(C=C1)O)(C(=O)O)NInChIKey: NHTGHBARYWONDQ-JTQLQIEISA-NInChI: InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1Synonyms: DTXCID203315 | Metirosina [INN-Spanish] | Metirosinum | Metyrosine [USAN] | MFCD00064201 | NCGC00094144-03 | s8033 | ...
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Doxazosin, Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptorCas#: 74191-85-8 Compound CID: 3157Formula: C23H25N5O5 Molecular Weight: 451.48IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanoneSMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OCInChIKey: RUZYUOTYCVRMRZ-UHFFFAOYSA-NInChI: InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)Synonyms: SBI-0050459.P002 | CHEBI:4708 | HMS1383E01 | 1-(4-Amino-6,7-Dimethoxy-2-quinazolinyl)-4-(1,4-benzodioxan-2-ylcarbonyl...
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tamsulosin, Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptorCas#: 106133-20-4 Compound CID: 129211Formula: C20H28N2O5S Molecular Weight: 408.52IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamideSMILES: CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)NInChIKey: DRHKJLXJIQTDTD-OAHLLOKOSA-NInChI: 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/s1Synonyms: (r)-5-(2-(2-(2-ethoxyphenoxy)ethylamino)propyl)-2-methoxybenzenesulfonamide | G04CA02 | SMR004703489 | TAMSULOSIN [WH...
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α-Methyl-L-tyrosineCas#: 672-87-7 Compound CID: 441350Formula: C10H13NO3 Molecular Weight: 195.22IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acidSMILES: CC(CC1=CC=C(C=C1)O)(C(=O)O)NInChIKey: NHTGHBARYWONDQ-JTQLQIEISA-NInChI: InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1Synonyms: DTXCID203315 | Metirosina [INN-Spanish] | Metirosinum | Metyrosine [USAN] | MFCD00064201 | NCGC00094144-03 | s8033 | ...
