Found 47 hits Enz. Inhib. hit(s) with all data for entry = 5106 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 |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82505
(CAS_121881 | NSC_121881 | SB204070)Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3 | PDB
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| Article PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82505
(CAS_121881 | NSC_121881 | SB204070)Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3 | PDB
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| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82505
(CAS_121881 | NSC_121881 | SB204070)Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM85135
(RS 57639)Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CCc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C24H29ClN2O5/c1-29-22-14-20(26)19(25)13-18(22)24(28)32-15-17-5-8-27(9-6-17)7-4-16-2-3-21-23(12-16)31-11-10-30-21/h2-3,12-14,17H,4-11,15,26H2,1H3 | PDB
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| Article PubMed
| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM85135
(RS 57639)Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CCc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C24H29ClN2O5/c1-29-22-14-20(26)19(25)13-18(22)24(28)32-15-17-5-8-27(9-6-17)7-4-16-2-3-21-23(12-16)31-11-10-30-21/h2-3,12-14,17H,4-11,15,26H2,1H3 | PDB
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| PC cid PC sid UniChem
| Article PubMed
| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM29525
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 | PDB
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| Article PubMed
| 1.99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM85135
(RS 57639)Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CCc2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C24H29ClN2O5/c1-29-22-14-20(26)19(25)13-18(22)24(28)32-15-17-5-8-27(9-6-17)7-4-16-2-3-21-23(12-16)31-11-10-30-21/h2-3,12-14,17H,4-11,15,26H2,1H3 | PDB
UniProtKB/SwissProt
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| PC cid PC sid UniChem
| Article PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM29525
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 | PDB
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| Article PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM29525
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 | PDB
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| Article PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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Similars
| PDB Article PubMed
| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50056404
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18| Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50056401
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3 | PDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50056401
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50056401
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3 | PDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82422
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21| Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21) | PDB
UniProtKB/SwissProt
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| PC cid PC sid UniChem
Similars
| Article PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50056404
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18| Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50007863
(6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...)Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21) | PDB
UniProtKB/SwissProt
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| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50007863
(6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...)Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21) | PDB
UniProtKB/SwissProt
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| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50056404
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18| Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50007871
(CHEMBL8197 | ICS 205-930 | TROPISETRON)Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50007863
(6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...)Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21) | PDB
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| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82422
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21| Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21) | PDB
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| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50007871
(CHEMBL8197 | ICS 205-930 | TROPISETRON)Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3 | PDB
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| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82422
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21| Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21) | PDB
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| PC cid PC sid UniChem
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| Article PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM81781
(5-HT,a-Me | 5-HT,omega-N-Me)Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3 | PDB
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| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50007871
(CHEMBL8197 | ICS 205-930 | TROPISETRON)Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3 | PDB
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| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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| Article PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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| Article PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
UniProtKB/SwissProt
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| Article PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
UniProtKB/SwissProt
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| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM81781
(5-HT,a-Me | 5-HT,omega-N-Me)Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM21392
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM21392
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM81781
(5-HT,a-Me | 5-HT,omega-N-Me)Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by PDSP Ki Database
| |
Neuropharmacology 36: 671-9 (1997)
Article DOI: 10.1016/s0028-3908(97)00039-7 BindingDB Entry DOI: 10.7270/Q2RN36D0 |
More data for this Ligand-Target Pair | |