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P51686 | CCR9_HUMAN | C-C chemokine receptor type 9 (CCR9)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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[ 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
CHEMBL3799487 OBDepict H 3 C O N N O O HN Cl S O O H 3 C CH 3 H 3 C Ki = 3.0 nM 499.98 COc1ccncc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O Homo sapiens CHEMBL3801237 cell-based format
CHEMBL2178578 OBDepict Cl HN O S O O H 3 C CH 3 H 3 C + N _ O IC50 = 6.0 nM 444.94 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1 Homo sapiens CHEMBL2184877 single protein format
CHEMBL3798612 OBDepict O N N O NH S Cl O O CH 3 CH 3 CH 3 Ki = 9.0 nM 469.95 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2ccccn2)C3=O)cc1 Homo sapiens CHEMBL3801237 cell-based format
CHEMBL2178578 OBDepict Cl HN O S O O H 3 C CH 3 H 3 C + N _ O Ki = 10.0 nM 444.94 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1 Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3800062 OBDepict O N HN O S Cl H 3 C N O O H 3 C CH 3 H 3 C Ki = 14.0 nM 483.98 Cc1ncccc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3799111 OBDepict H 3 C N N O O HN Cl S O O H 3 C CH 3 H 3 C Ki = 19.0 nM 483.98 Cc1cccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)n1 Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3604486 OBDepict Cl HN N S NH 2 N O O H 3 C CH 3 H 3 C IC50 = 23.0 nM 416.93 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nccnc2N)cc1 Homo sapiens CHEMBL3607107 single protein format
CHEMBL3604487 OBDepict Cl HN N S N NH 2 O O H 3 C CH 3 H 3 C IC50 = 23.0 nM 416.93 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nnccc2N)cc1 Homo sapiens CHEMBL3607107 single protein format
CHEMBL3797271 OBDepict O N HN O S Cl H 3 C + N O O H 3 C CH 3 H 3 C _ O Ki = 24.0 nM 499.98 Cc1c(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)ccc[n+]1[O-] Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3604489 OBDepict Cl HN N S OH O O H 3 C CH 3 H 3 C H 2 N N IC50 = 30.0 nM 432.93 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nc(N)ncc2O)cc1 Homo sapiens CHEMBL3607107 single protein format
CHEMBL3799229 OBDepict H 3 C O N N O O HN Cl S O O H 3 C CH 3 H 3 C Ki = 32.0 nM 499.98 COc1ncccc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3604499 OBDepict OH NH N N HN Cl S O O H 3 C CH 3 H 3 C IC50 = 34.0 nM 460.99 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nccnc2NCCO)cc1 Homo sapiens CHEMBL3607107 single protein format
CHEMBL3799220 OBDepict _ O + N N O O NH Cl S O O CH 3 CH 3 CH 3 Ki = 38.0 nM 499.98 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2ccc[n+]([O-])c2)C3=O)cc1 Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3798178 OBDepict O N O NH + N S Cl _ O O O CH 3 CH 3 CH 3 Ki = 40.0 nM 499.98 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2cccc[n+]2[O-])C3=O)cc1 Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3604496 OBDepict H 3 C N OH N HN Cl S O O H 3 C CH 3 H 3 C IC50 = 60.0 nM 445.97 CCc1ncnc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1O Homo sapiens CHEMBL3607107 single protein format
CHEMBL3799853 OBDepict O N NH O S Cl F N O O CH 3 CH 3 CH 3 Ki = 91.0 nM 487.94 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2cccnc2F)C3=O)cc1 Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3604493 OBDepict Cl HN N S OH O O H 3 C CH 3 H 3 C N N H 3 C CH 3 IC50 = 105.0 nM 460.99 CN(C)c1ncnc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1O Homo sapiens CHEMBL3607107 single protein format
CHEMBL3798368 OBDepict H 3 C O + N _ O N O O HN Cl S O O H 3 C CH 3 H 3 C Ki = 113.0 nM 515.98 COc1c(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)ccc[n+]1[O-] Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3604494 OBDepict Cl N H N S N H 2 N O O CH 3 CH 3 H 3 C N O IC50 = 190.0 nM 502.04 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nncc(N3CCOCC3)c2N)cc1 Homo sapiens CHEMBL3607107 single protein format
CHEMBL3814811 OBDepict H 3 C O H 3 C H 3 C N O OH N Cl IC50 = 218.0 nM 372.85 COCC(C)(C)c1ccc(Cn2c(C(=O)O)cc3ncc(Cl)cc32)cc1 Homo sapiens CHEMBL3815318 cell-based format
CHEMBL3604497 OBDepict CH 3 NH N N HN Cl S O O H 3 C CH 3 H 3 C IC50 = 235.0 nM 430.96 CNc1nccnc1-c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 Homo sapiens CHEMBL3607107 single protein format
CHEMBL3814736 OBDepict Cl N N O OH H 3 C H 3 C CH 3 IC50 = 277.0 nM 342.83 CC(C)(C)c1ccc(Cn2c(C(=O)O)cc3ncc(Cl)cc32)cc1 Homo sapiens CHEMBL3815318 cell-based format
CHEMBL3604495 OBDepict OH N OH N NH Cl S O O CH 3 CH 3 CH 3 IC50 = 325.0 nM 447.94 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncnc(CO)c2O)cc1 Homo sapiens CHEMBL3607107 single protein format
CHEMBL3604483 OBDepict OH OH N NH Cl S O O CH 3 CH 3 CH 3 IC50 = 330.0 nM 446.96 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nccc(CO)c2O)cc1 Homo sapiens CHEMBL3607107 single protein format
CHEMBL3604492 OBDepict Cl HN N S OH O O H 3 C CH 3 H 3 C N NH 2 IC50 = 340.0 nM 432.93 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncnc(N)c2O)cc1 Homo sapiens CHEMBL3607107 single protein format
CHEMBL3797858 OBDepict O N O NH S Cl N O O CH 3 CH 3 CH 3 Ki = 357.0 nM 483.98 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2cccnc2)C3=O)cc1 Homo sapiens CHEMBL3801237 cell-based format
CHEMBL3814251 OBDepict Cl N N O OH F F F IC50 = 590.0 nM 354.71 O=C(O)c1cc2ncc(Cl)cc2n1Cc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL3815318 cell-based format
CHEMBL3604488 OBDepict Cl HN N S OH O O H 3 C CH 3 H 3 C N IC50 = 750.0 nM 417.92 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncncc2O)cc1 Homo sapiens CHEMBL3607107 single protein format