HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q9HC97 | GPR35_HUMAN | G-protein coupled receptor 35 (GPR35)

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
CHEMBL2425821 OBDepict CH 3 O F F N H O O Br O O HO Ki = 0.589 nM 454.18 COc1cc(F)c(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392171 OBDepict Br N H O O O Cl O OH Cl Ki = 0.938 nM 457.06 O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392179 OBDepict CH 3 O Cl N H O O Br O O HO Ki = 1.12 nM 452.64 COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2425819 OBDepict CH 3 O F N H O O Br O O HO Ki = 1.37 nM 436.19 COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2425820 OBDepict CH 3 O F N H O O Br O O HO Ki = 1.64 nM 436.19 COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1F Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2425824 OBDepict CH 3 O F N H O O Cl O O HO Ki = 1.92 nM 391.74 COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c(F)c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392172 OBDepict Br N H O O O O OH Cl Cl Ki = 2.18 nM 457.06 O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392160 OBDepict F N H O O O Cl O OH Cl Ki = 4.12 nM 396.16 O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392170 OBDepict Br N H O O O O OH Cl Ki = 4.79 nM 422.62 O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392174 OBDepict CH 3 O N H O O Br O O HO Ki = 5.18 nM 418.2 COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392167 OBDepict CH 3 O N H O O Cl O O HO Ki = 5.5 nM 373.75 COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL4100677 OBDepict O O N N + N N H N O _ O HO Br IC50 = 8.6 nM 354.08 O=c1oc2c([N+](=O)[O-])c(O)c(Br)cc2cc1-c1nnn[nH]1 Homo sapiens CHEMBL4042614 cell-based format
CHEMBL1384502 OBDepict O N H N OH S S O O HO CH 3 Ki = 8.76 nM 482.58 CC(/C=C1SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=Cc1ccccc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392161 OBDepict F N H O O O O OH Cl Cl Ki = 11.5 nM 396.16 O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL177880 OBDepict OH O OH HO O HO Ki = 11.5 nM 388.38 O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O Homo sapiens CHEMBL2429574 cell-based format
CHEMBL4079816 OBDepict _ O + N O OH + N O O _ O O N N N H N IC50 = 13.0 nM 320.18 O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nnn[nH]1 Homo sapiens CHEMBL4042614 cell-based format
CHEMBL2392178 OBDepict Br N H O O O O HO O O Ki = 15.0 nM 432.18 O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2425823 OBDepict CH 3 O N H O O O O HO O H 3 C Ki = 20.5 nM 369.33 COc1ccc(C(=O)Nc2cc(OC)cc3c(=O)cc(C(=O)O)oc23)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL4092954 OBDepict Br HO Br O O N N N H N IC50 = 23.0 nM 387.98 O=c1oc2c(Br)c(O)c(Br)cc2cc1-c1nnn[nH]1 Homo sapiens CHEMBL4042614 cell-based format
CHEMBL2392162 OBDepict CH 3 O N H O O F O O HO Ki = 25.4 nM 357.29 COc1ccc(C(=O)Nc2cc(F)cc3c(=O)cc(C(=O)O)oc23)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392183 OBDepict CH 3 O N N H O O Br O O HO Ki = 25.7 nM 419.19 COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cn1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL4082281 OBDepict Br HO + N O O _ O O OH O IC50 = 31.0 nM 330.05 O=C(O)c1cc2cc(Br)c(O)c([N+](=O)[O-])c2oc1=O Homo sapiens CHEMBL4042614 cell-based format
CHEMBL1466 OBDepict O O OH O O OH Ki = 39.0 nM 336.3 O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O Homo sapiens CHEMBL2429574 cell-based format
CHEMBL1708510 OBDepict H 3 C O O N N N HN F HN S F CH 3 CH 3 H 3 C Ki = 42.2 nM 395.44 COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)NC(C)(C)C Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2425822 OBDepict CH 3 O N H O O CH 3 O O HO Ki = 42.8 nM 353.33 COc1ccc(C(=O)Nc2cc(C)cc3c(=O)cc(C(=O)O)oc23)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2425825 OBDepict OH O O S O N H O Ki = 50.8 nM 279.27 O=C(O)COc1ccc(/C=C2SC(=O)NC2=O)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL4081238 OBDepict Br OH Br O O OH O IC50 = 56.0 nM 363.94 O=C(O)c1cc2cc(Br)c(O)c(Br)c2oc1=O Homo sapiens CHEMBL4042614 cell-based format
CHEMBL2392182 OBDepict CH 3 O N N H O O Br O O HO Ki = 56.8 nM 419.19 COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)nc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392168 OBDepict Br N H O O O O OH Ki = 81.6 nM 388.17 O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392175 OBDepict CH 3 O N H O O Br O O HO Ki = 98.4 nM 432.23 CCOc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL6246 OBDepict HO HO O O O O OH OH IC50 = 100.0 nM 302.19 O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 Homo sapiens CHEMBL2039375 cell-based format
CHEMBL559337 OBDepict OH O OH O OH HO IC50 = 110.0 nM 248.19 O=C(O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1 Homo sapiens CHEMBL2039375 cell-based format
CHEMBL1914588 OBDepict OH O S CH 3 S Br IC50 = 110.0 nM 277.16 Cc1c(C(=O)O)sc2c(Br)csc12 Homo sapiens CHEMBL2039375 cell-based format
CHEMBL2392159 OBDepict F N H O O O Cl O HO Cl Ki = 119.0 nM 396.16 O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392169 OBDepict Br N H O O O O OH CH 3 Ki = 128.0 nM 402.2 Cc1cccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392164 OBDepict Cl N H O O O O OH Ki = 138.0 nM 343.72 O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccccc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392173 OBDepict N NH O O Br O O HO Ki = 148.0 nM 413.18 N#Cc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392166 OBDepict Cl N H O O O O OH + N O _ O Ki = 183.0 nM 388.72 O=C(Nc1cc(Cl)cc2c(=O)cc(C(=O)O)oc12)c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392163 OBDepict CH 3 O O O O N H F O O CH 3 Ki = 198.0 nM 385.35 CCOC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(OC)cc3)c2o1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392157 OBDepict CH 3 O N H O O O O HO Ki = 221.0 nM 339.3 COc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392177 OBDepict CH 3 O O H 3 C N H O O Br O O HO Ki = 228.0 nM 448.23 COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1OC Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392158 OBDepict Br NH O O O O HO Ki = 233.0 nM 388.17 O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc(Br)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392165 OBDepict Cl N H O O O O OH CH 3 Ki = 250.0 nM 357.75 Cc1cccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL4085211 OBDepict Br + N O O _ O O N N N H N IC50 = 330.0 nM 338.08 O=c1oc2c([N+](=O)[O-])cc(Br)cc2cc1-c1nnn[nH]1 Homo sapiens CHEMBL4042614 cell-based format
CHEMBL2392176 OBDepict CH 3 O N H O O Br O O OH Ki = 331.0 nM 418.2 COc1ccccc1C(=O)Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL4065291 OBDepict Br Br O O N N N H N IC50 = 380.0 nM 371.98 O=c1oc2c(Br)cc(Br)cc2cc1-c1nnn[nH]1 Homo sapiens CHEMBL4042614 cell-based format
CHEMBL2037378 OBDepict H 3 C NH O OH OH OH OH O O O HO HO O HO IC50 = 390.0 nM 537.43 CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1 Homo sapiens CHEMBL2039375 cell-based format
CHEMBL28079 OBDepict CH 3 O N N H N O N N H Ki = 401.0 nM 271.28 CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL4103143 OBDepict CH 3 O Br Br O O N N N H N IC50 = 460.0 nM 402.0 COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1Br Homo sapiens CHEMBL4042614 cell-based format
CHEMBL4073902 OBDepict O O N N N H N HO Br IC50 = 483.0 nM 309.08 O=c1oc2cc(O)c(Br)cc2cc1-c1nnn[nH]1 Homo sapiens CHEMBL4042614 cell-based format
CHEMBL1384502 OBDepict O N H N OH S S O O HO CH 3 IC50 = 522.0 nM 482.58 CC(/C=C1SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O)=Cc1ccccc1 Homo sapiens CHEMBL2429570 cell-based format
CHEMBL1708510 OBDepict H 3 C O O N N N HN F HN S F CH 3 CH 3 H 3 C IC50 = 574.0 nM 395.44 COC(=O)c1cnn(-c2ccc(F)cc2F)c1/C=N/NC(=S)NC(C)(C)C Homo sapiens CHEMBL2429570 cell-based format
CHEMBL4093683 OBDepict CH 3 O Br Br O O N IC50 = 590.0 nM 358.97 COc1c(Br)cc2cc(C#N)c(=O)oc2c1Br Homo sapiens CHEMBL4042614 cell-based format
CHEMBL4066109 OBDepict N O O Br + N O _ O IC50 = 650.0 nM 295.05 N#Cc1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O Homo sapiens CHEMBL4042614 cell-based format
CHEMBL1914576 OBDepict N O N H 3 C N H 3 C Cl Cl Ki = 655.0 nM 330.17 CC1=C(C#N)C(=C(C#N)C#N)OC1(C)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392152 OBDepict O N H N O O O HO Ki = 691.0 nM 360.33 O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392155 OBDepict CH 3 NH O O O O HO Ki = 697.0 nM 323.3 Cc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)O)oc23)cc1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL2392151 OBDepict O N H O O O HO Ki = 714.0 nM 359.34 O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2c1 Homo sapiens CHEMBL2429574 cell-based format
CHEMBL4105535 OBDepict H 3 C O Br Br O O O OH IC50 = 750.0 nM 377.97 COc1c(Br)cc2cc(C(=O)O)c(=O)oc2c1Br Homo sapiens CHEMBL4042614 cell-based format