HOME LIGAND hPROTEOME OTHERS DOCUMENT

P35408 | PE2R4_HUMAN | Prostaglandin E2 receptor EP4 subtype (PTGER4)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_3 ]

download pymol session



[ 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
CHEMBL258332 OBDepict Cl HO H H N O O OH Ki = 0.02 nM 413.9 O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 Homo sapiens CHEMBL933109 single protein format
CHEMBL272276 OBDepict O N H OH H O OH Ki = 0.05 nM 379.46 O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1 Homo sapiens CHEMBL933109 single protein format
CHEMBL3923027 OBDepict CH 3 HO H H N F F O O HO Ki = 0.082 nM 395.45 CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL3916499 OBDepict H 3 C HO H H N F F O S O HO Ki = 0.1 nM 415.5 CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL3895047 OBDepict H 3 C CH 3 H OH H H N F F O O OH Ki = 0.12 nM 419.47 CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL64804 OBDepict H 3 C HO H H H HO H O O HO Ki = 0.14 nM 352.47 CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=CCCCC(=O)O Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL1644016 OBDepict CH 3 O N H O S N O CH 3 CH 3 H 3 C CH 3 Ki = 0.2 nM 500.66 COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL3955128 OBDepict CH 3 OH H H N F F O O OH Ki = 0.21 nM 375.46 CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL3923027 OBDepict CH 3 HO H H N F F O O HO IC50 = 0.22 nM 395.45 CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL1084009 OBDepict OH O NH O N F F F Ki = 0.23 nM 478.47 O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 Homo sapiens CHEMBL1120632 cell-based format
CHEMBL255527 OBDepict CH 3 O O N O H 3 C CH 3 S NH O O O Ki = 0.25 nM 572.68 CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2 Homo sapiens CHEMBL934070 cell-based format
CHEMBL3975743 OBDepict O N F F H S HO H CH 3 H O HO Ki = 0.28 nM 491.6 C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL1645141 OBDepict OH O N H H 3 C H O N Ki = 0.28 nM 476.58 C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(-c3ccccc3)cc1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL3916499 OBDepict H 3 C HO H H N F F O S O HO IC50 = 0.28 nM 415.5 CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL191638 OBDepict O NH S O O H N O Ki = 0.3 nM 588.73 O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 Homo sapiens CHEMBL828888 single protein format
CHEMBL3260768 OBDepict F O F N H H 3 C O NH O S O O H 3 C Ki = 0.3 nM 526.56 Cc1ccccc1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1 Homo sapiens CHEMBL3266970 cell-based format
CHEMBL255422 OBDepict CH 3 O O N O CH 3 S NH O O O Ki = 0.31 nM 558.66 CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1)C2 Homo sapiens CHEMBL934070 cell-based format
CHEMBL1086490 OBDepict Cl N NH O F F F O OH Ki = 0.31 nM 512.92 O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 Homo sapiens CHEMBL1120632 cell-based format
CHEMBL3895047 OBDepict H 3 C CH 3 H OH H H N F F O O OH IC50 = 0.32 nM 419.47 CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL1645142 OBDepict Br Br N N H O CH 3 H O OH Ki = 0.33 nM 558.27 C[C@H](NC(=O)c1cccc2c1N(Cc1cc(Br)cc(Br)c1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL1644006 OBDepict CH 3 O N H O S O O S N O H 3 C H 3 C CH 3 H 3 C Ki = 0.33 nM 576.74 COc1ccccc1C1(C(=O)NS(=O)(=O)Cc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL1645134 OBDepict O N H N H 3 C H Cl O HO Cl Ki = 0.34 nM 469.37 C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)c(Cl)c1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL1645137 OBDepict OH O NH H 3 C H O N F F F Ki = 0.37 nM 468.48 C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL1645155 OBDepict F N N H O H 3 C H F F F O HO Ki = 0.37 nM 486.47 C[C@H](NC(=O)c1cc(F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL256183 OBDepict CH 3 O O N O CH 3 S NH O O O O Ki = 0.38 nM 574.66 CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)COc3ccccc3)cc1)C2 Homo sapiens CHEMBL934070 cell-based format
CHEMBL1084552 OBDepict Cl O N F F F N H O CH 3 H O OH Ki = 0.38 nM 516.9 C[C@H](NC(=O)c1cccc2ccn(Cc3cc(Cl)cc(OC(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1120632 cell-based format
CHEMBL64804 OBDepict H 3 C HO H H H HO H O O HO IC50 = 0.38 nM 352.47 CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=CCCCC(=O)O Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL292964 OBDepict CH 3 O OH H H H OH H O S O OH Ki = 0.396 nM 436.57 COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)O)c1 Homo sapiens CHEMBL4386416 cell-based format
CHEMBL1645153 OBDepict Cl N N H O H 3 C H F F F O HO Ki = 0.4 nM 502.92 C[C@H](NC(=O)c1cc(Cl)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL1645138 OBDepict O N H N CH 3 H O OH F F F Ki = 0.4 nM 468.48 C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL1644004 OBDepict Cl S N H O O N H O S N O CH 3 H 3 C CH 3 CH 3 Ki = 0.4 nM 570.14 Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL4535971 OBDepict CH 3 N N N N H O H 3 C H F F F O OH IC50 = 0.4 nM 458.44 C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4380455 cell-based format
CHEMBL1644010 OBDepict H 3 C S HN O O HN O S N O CH 3 CH 3 Ki = 0.41 nM 575.76 Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N4CCCC4)sc4c(C)cc(C)cc34)cc2)cc1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL1644005 OBDepict CH 3 CH 3 S N O CH 3 H 3 C N H N H O S O O Cl Ki = 0.42 nM 570.14 Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccccc4Cl)cc3)c2c1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL1083400 OBDepict Cl N NH O H 3 C H F F F O OH Ki = 0.44 nM 500.9 C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1120632 cell-based format
CHEMBL1645135 OBDepict Cl N N H O H 3 C H O HO Ki = 0.44 nM 434.92 C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL3982139 OBDepict H 3 C H 3 C H HO H H N F F O O OH Ki = 0.44 nM 385.45 CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL1645133 OBDepict Cl N N H O CH 3 H O OH Ki = 0.44 nM 434.92 C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(Cl)c1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL3667607 OBDepict H O HN O H 3 C CH 3 H 3 C H O O OH Ki = 0.45 nM 385.46 CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3707730 cell-based format
CHEMBL3695937 OBDepict Cl Br S N H O Br CH 3 H O OH Ki = 0.47 nM 557.69 C[C@H](NC(=O)c1c(Br)sc(Br)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705988 cell membrane format
CHEMBL402960 OBDepict CH 3 O N N O O H 3 C CH 3 S NH O O O F Ki = 0.48 nM 591.66 CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3F)cc1C)C2=O Homo sapiens CHEMBL934070 cell-based format
CHEMBL3918816 OBDepict CH 3 CH 3 H HO H H N F F O O OH Ki = 0.49 nM 399.48 CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL1644009 OBDepict CH 3 N H O S H 3 C H 3 C N H N H O S O O CH 3 Ki = 0.5 nM 535.69 CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL1644012 OBDepict H 3 C S HN O O HN O S N O CH 3 H 3 C F F Ki = 0.53 nM 557.64 Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(F)cc(F)cc34)cc2)cc1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL1644003 OBDepict H 3 C S HN O O HN O S N O CH 3 H 3 C CH 3 CH 3 Ki = 0.54 nM 549.72 Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL597997 OBDepict OH O NH O H 3 C S CH 3 F F F Ki = 0.56 nM 473.52 Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL1072472 cell-based format
CHEMBL3955128 OBDepict CH 3 OH H H N F F O O OH IC50 = 0.57 nM 375.46 CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL1644011 OBDepict H 3 C S HN O O HN O S N O CH 3 H 3 C Cl Cl Ki = 0.59 nM 590.55 Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(Cl)cc34)cc2)cc1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL3260767 OBDepict F O F O CH 3 O NH O S O O H 3 C N H 3 C O Ki = 0.6 nM 532.52 Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1 Homo sapiens CHEMBL3266970 cell-based format
CHEMBL1084553 OBDepict OH O N H CH 3 H O N F F F Ki = 0.62 nM 466.46 C[C@H](NC(=O)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1120632 cell-based format
CHEMBL598198 OBDepict H N N N N HN O CH 3 S H 3 C F F F Ki = 0.63 nM 497.55 Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL1072472 cell-based format
CHEMBL1645154 OBDepict OH O NH H 3 C H O N F F F F F F Ki = 0.66 nM 536.47 C[C@H](NC(=O)c1cc(C(F)(F)F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL371394 OBDepict O N H O H N O Ki = 0.68 nM 540.66 O=C(NOCc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 Homo sapiens CHEMBL828888 single protein format
CHEMBL222834 OBDepict CH 3 O OH H H N O O OH Ki = 0.7 nM 423.51 COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 Homo sapiens CHEMBL918077 single protein format
CHEMBL3695945 OBDepict H N N N N NH O CH 3 S H 3 C F F F Ki = 0.7 nM 497.55 Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3705988 cell membrane format
CHEMBL548 OBDepict H 3 C HO H H H HO H O O HO IC50 = 0.7 nM 352.47 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=CCCCC(=O)O Homo sapiens CHEMBL765917 cell-based format
CHEMBL3695936 OBDepict Cl Br S N H O H 3 C H O HO Ki = 0.71 nM 478.8 C[C@H](NC(=O)c1csc(Br)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705988 cell membrane format
CHEMBL601299 OBDepict Cl Cl S N H O Cl O OH Ki = 0.72 nM 454.76 O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 Homo sapiens CHEMBL1072472 cell-based format
CHEMBL3975743 OBDepict O N F F H S HO H CH 3 H O HO IC50 = 0.74 nM 491.6 C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL603462 OBDepict O HN H 3 C S CH 3 F F F O HO Ki = 0.75 nM 473.52 Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL1072472 cell-based format
CHEMBL403630 OBDepict CH 3 O N N O O H 3 C CH 3 S NH O O O Ki = 0.76 nM 573.67 CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2=O Homo sapiens CHEMBL934070 cell-based format
CHEMBL1644014 OBDepict H 3 C S HN O O HN O S N O H 3 C CH 3 H 3 C CH 3 Ki = 0.77 nM 549.72 Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)ccc(C)c34)cc2)cc1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL1645148 OBDepict H 3 C N N H O CH 3 H O HO Ki = 0.78 nM 414.51 Cc1ccc(CN2CCc3cccc(C(=O)N[C@@H](C)c4ccc(C(=O)O)cc4)c32)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL548 OBDepict H 3 C HO H H H HO H O O HO Ki = 0.79 nM 352.47 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=CCCCC(=O)O Homo sapiens CHEMBL888232 cell-based format
CHEMBL413509 OBDepict CH 3 OH H H N H HO O O OH Ki = 0.8 nM 353.46 CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)N1C/C=C/CCCC(=O)O Homo sapiens CHEMBL763258 single protein format
CHEMBL3695943 OBDepict O N H Cl S CH 3 H Cl F F F O OH Ki = 0.8 nM 502.34 C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705988 cell membrane format
CHEMBL3958395 OBDepict OH H H O O OH Ki = 0.8 nM 428.53 O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1 Homo sapiens CHEMBL3888778 cell-free format
CHEMBL1085040 OBDepict Cl N N H O CH 3 H Cl O OH Ki = 0.81 nM 467.35 C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1120632 cell-based format
CHEMBL591431 OBDepict Cl Cl S N H O Cl CH 3 H O OH Ki = 0.87 nM 468.79 C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1072472 cell-based format
CHEMBL3897335 OBDepict HO O N O H F F HO H CH 3 H Ki = 0.89 nM 451.55 C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL192729 OBDepict OH O NH O N H H O O N H O O Ki = 0.91 nM 523.59 O=C(O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 Homo sapiens CHEMBL828888 single protein format
CHEMBL222677 OBDepict Cl CH 3 HO H H N O O HO Ki = 0.94 nM 492.02 Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 Homo sapiens CHEMBL918077 single protein format
CHEMBL1644002 OBDepict CH 3 O O S H 3 C H 3 C N H N H O S O O CH 3 Ki = 0.97 nM 536.68 COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL4099851 OBDepict Cl N O HN O CH 3 H F O OH Ki = 0.97 nM 414.82 C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3997110 cell-based format
CHEMBL1644020 OBDepict CH 3 CH 3 S N O CH 3 H 3 C N H N N Ki = 0.98 nM 430.58 Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNc4ncccn4)cc3)c2c1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL257217 OBDepict H 3 C OH H H N O O OH Ki = 1.0 nM 373.49 CCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL933109 single protein format
CHEMBL222782 OBDepict O N H HO H O HO Ki = 1.0 nM 371.48 O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1 Homo sapiens CHEMBL918077 single protein format
CHEMBL401795 OBDepict CH 3 O O N O H 3 C S N H O O O Ki = 1.0 nM 598.72 CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)C3CCCc4ccccc43)cc1)C2 Homo sapiens CHEMBL934070 cell-based format
CHEMBL1645152 OBDepict H N N N N HN CH 3 H O N F F F Ki = 1.0 nM 492.51 C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(-c2nn[nH]n2)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL3906016 OBDepict OH H Br H O O OH Ki = 1.0 nM 457.36 O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 Homo sapiens CHEMBL3888778 cell-free format
CHEMBL1643998 OBDepict H N N N N S N O H 3 C CH 3 H 3 C H 3 C Ki = 1.1 nM 391.5 Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(Cc4nn[nH]n4)cc3)c2c1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL3949856 OBDepict H 3 C CH 3 H HO H H N F F O S O HO Ki = 1.2 nM 439.52 CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL275667 OBDepict O N H HO H N N N H N Ki = 1.2 nM 383.5 O=C1CC[C@H](/C=C/[C@@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1 Homo sapiens CHEMBL767817 cell-based format
CHEMBL3982139 OBDepict H 3 C H 3 C H HO H H N F F O O OH IC50 = 1.2 nM 385.45 CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL3260463 OBDepict CH 3 O O CH 3 O N H O S O O H 3 C N CH 3 O Ki = 1.3 nM 496.54 COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)cc1 Homo sapiens CHEMBL3266970 cell-based format
CHEMBL3260457 OBDepict F O F O H 3 C O HN O S O O Ki = 1.3 nM 513.52 Cc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1COc1ccc(-c2ccc(OC(F)F)cc2)cc1 Homo sapiens CHEMBL3266970 cell-based format
CHEMBL599052 OBDepict Cl Cl S N H O Cl CH 3 H O OH Ki = 1.3 nM 468.79 C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1072472 cell-based format
CHEMBL3918816 OBDepict CH 3 CH 3 H HO H H N F F O O OH IC50 = 1.3 nM 399.48 CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL275667 OBDepict O N H HO H N N N H N IC50 = 1.4 nM 383.5 O=C1CC[C@H](/C=C/[C@@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1 Homo sapiens CHEMBL767814 cell-based format
CHEMBL603690 OBDepict HO O HN CH 3 H O CH 3 S H 3 C F F F Ki = 1.4 nM 461.51 Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL1072472 cell-based format
CHEMBL1645139 OBDepict O N H N CH 3 H O OH O F F F Ki = 1.5 nM 484.47 C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL1644019 OBDepict O N H Cl Cl S N O H 3 C CH 3 H 3 C H 3 C Ki = 1.6 nM 539.53 Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4c(Cl)cccc4Cl)cc3)c2c1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL45008 OBDepict HO O N O H HO H F F F Ki = 1.6 nM 427.46 O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL763258 single protein format
CHEMBL3959605 OBDepict OH O N O H F F HO H Ki = 1.8 nM 437.53 O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 Homo sapiens CHEMBL3887481 cell membrane format
CHEMBL1645136 OBDepict F N N H O H 3 C H O HO Ki = 1.8 nM 418.47 C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(F)cc1)CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1646483 cell-based format
CHEMBL3695940 OBDepict Cl HO Cl S N H O Cl H 3 C H O HO Ki = 1.8 nM 484.79 C[C@H](NC(=O)c1c(Cl)sc(Cl)c1C(O)c1cccc(Cl)c1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3705988 cell membrane format
CHEMBL1643997 OBDepict CH 3 O O S H 3 C H 3 C N N N N H Ki = 1.9 nM 378.46 COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(Cc2nn[nH]n2)cc1 Homo sapiens CHEMBL1645710 single protein format
CHEMBL3740223 OBDepict HO N H O CH 3 CH 3 O HO Ki = 1.98 nM 425.48 Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 Homo sapiens CHEMBL3744250 single protein format
CHEMBL1910022 OBDepict O N H O H 3 C H F F F O HO IC50 = 2.0 nM 455.43 C[C@H](NC(=O)c1cccc2c1Oc1cc(C(F)(F)F)ccc1CC2)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1913308 cell-based format
CHEMBL403492 OBDepict CH 3 O O N O CH 3 S NH O O O N N CH 3 Ki = 2.0 nM 562.65 CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cn3nccc3C)cc1)C2 Homo sapiens CHEMBL934070 cell-based format