Found 168 hits Enz. Inhib. hit(s) with all data for entry = 4647 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
D(2) dopamine receptor
(BOVINE) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM78433
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI 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,3,8-15H2 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM81492
(BENPERIDOL | CAS_2062-84-2 | NSC_16363)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28) | PDB
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| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM81487
(CAS_10457-91-7 | CLOFLUPEROL | NSC_25293)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C22H22ClF4NO2/c23-19-8-5-16(14-18(19)22(25,26)27)21(30)9-12-28(13-10-21)11-1-2-20(29)15-3-6-17(24)7-4-15/h3-8,14,30H,1-2,9-13H2 | PDB
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| PC cid PC sid UniChem
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Similars
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
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| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50334150
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50334150
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM78433
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI 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,3,8-15H2 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM26948
(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35) | PDB
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| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50334150
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | PDB
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| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM30709
(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36| Show InChI InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1 | PDB
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Similars
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM78433
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI 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,3,8-15H2 | PDB
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Similars
| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50334150
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | PDB
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Similars
| PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM78433
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI 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,3,8-15H2 | PDB
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Similars
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| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM81490
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2 | PDB
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Similars
| PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM81493
(CAS_749-13-3 | TRIFLUORPERIDOL)Show SMILES OC1(CCN(CC1)C(F)CCC(=O)c1ccccc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-20(10-9-19(28)16-5-2-1-3-6-16)27-13-11-21(29,12-14-27)17-7-4-8-18(15-17)22(24,25)26/h1-8,15,20,29H,9-14H2 | PDB
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| PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
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Similars
| PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50017705
(1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O |c:16| Show InChI InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50855
(ALPHA-ERGOCRYPTINE | MLS000069839 | SMR000058703 |...)Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C |c:27| Show InChI InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24?,25+,26?,31-,32+/m1/s1 | PDB
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Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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Patents
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM30702
(ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41| Show InChI InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1 | PDB
UniProtKB/SwissProt
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM81484
(BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
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| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM78576
(CIS-THIOTHIXENE | MLS000028463 | SMR000058396 | TH...)Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1 Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8- | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50027065
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4| Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM81486
(CAS_1050-79-9 | MOPERONE | NSC_4249)Show SMILES Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM79181
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI 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,4,9-14H2,1H3 | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM67544
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM81993
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28| Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1 | PDB
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Similars
| PDB PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(2) dopamine receptor
(BOVINE) | BDBM81485
(CAS_68751 | CIS TEFLUTIXOL | NSC_68751 | Teflutixo...)Show SMILES OCCN1CCN(CCCC2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2 | PDB
UniProtKB/SwissProt
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| PC cid PC sid UniChem
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| PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM79209
(2-[4-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)pro...)Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1 Show InChI InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5- | PDB
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Similars
| PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50019959
(1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...)Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50130269
((6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(C2=C1)c34 |c:23| Show InChI InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1 | PDB
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| CHEMBL PC cid PC sid UniChem
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50130257
((3E)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...)Show InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+ | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(1A) dopamine receptor
(BOVINE) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(1A) dopamine receptor
(BOVINE) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(2) dopamine receptor
(BOVINE) | BDBM50036733
(1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-...)Show InChI InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2 | PDB
UniProtKB/SwissProt
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| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI 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,5,10-11H2,1-2H3 | PDB
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Patents
Similars
| PubMed
| 10.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM81195
((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...)Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB PubMed
| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(2) dopamine receptor
(BOVINE) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 16.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Mol Pharmacol 12: 800-12 (1976)
BindingDB Entry DOI: 10.7270/Q22B8WH6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |