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P28566 | 5HT1E_HUMAN | 5-hydroxytryptamine receptor 1E (HTR1E)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL39 OBDepict H 2 N N H OH Ki = 4.0 nM 176.22 NCCc1c[nH]c2ccc(O)cc12 Homo sapiens CHEMBL616848 assay format
CHEMBL263881 OBDepict H 3 C N O CH 3 H N CH 3 H N H Ki = 93.0 nM 323.44 CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 Homo sapiens CHEMBL616716 single protein format
CHEMBL3139682 OBDepict Cl N H N NH 2 Ki < 100.0 nM 325.84 Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1 Homo sapiens CHEMBL4041190 cell-based format
CHEMBL138989 OBDepict CH 3 N H N O N H H 3 C H CH 3 H Ki = 140.0 nM 335.45 C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 Homo sapiens CHEMBL616716 single protein format
CHEMBL137781 OBDepict CH 3 N H N O N H CH 3 H H 3 C H Ki = 200.0 nM 335.45 C[C@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 Homo sapiens CHEMBL616716 single protein format
CHEMBL343755 OBDepict CH 3 N H N O N H H 3 C H CH 3 H Ki = 280.0 nM 335.45 C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1 Homo sapiens CHEMBL616716 single protein format
CHEMBL4163428 OBDepict CH 3 N N N O O Ki = 403.0 nM 351.45 CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 Homo sapiens CHEMBL4153377 cell-based format
CHEMBL2391541 OBDepict H 3 C O N H N H 2 C H 2 C Ki = 413.0 nM 270.38 C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 Homo sapiens CHEMBL2393677 cell-based format
CHEMBL267615 OBDepict CH 3 N H N H 3 C CH 3 O H 3 C Ki = 520.0 nM 246.35 CCc1[nH]c2ccc(OC)cc2c1CCN(C)C Homo sapiens CHEMBL872911 single protein format
CHEMBL103479 OBDepict CH 3 N N N H HN O F Ki = 660.0 nM 352.41 CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 Homo sapiens CHEMBL616850 assay format
CHEMBL105261 OBDepict H 3 C N H O N N H N H 3 C Ki = 770.0 nM 286.38 CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Homo sapiens CHEMBL616850 assay format
CHEMBL4209274 OBDepict F N N H HN Ki = 793.0 nM 231.27 Fc1ccc(-c2n[nH]c3c2CCNCC3)cc1 Homo sapiens CHEMBL4199352 cell-based format
CHEMBL4210782 OBDepict CH 3 N N H HN Ki = 890.0 nM 227.31 Cc1ccc(-c2n[nH]c3c2CCNCC3)cc1 Homo sapiens CHEMBL4199352 cell-based format