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P03951 | FA11_HUMAN | Coagulation factor XI (F11)

3D structures mapped by conservation among orthologs

[ Domain: "FMN-binding split barrel 2" // Trypsin_1 ]

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[ Domain: "Hairpin loop containing domain-like" // PAN_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
CHEMBL3260341 OBDepict H 3 C O HN O HN O H H 3 C N H N O F F Cl Ki = 0.11 nM 593.03 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](n1ccc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1 Homo sapiens CHEMBL3271330 single protein format
CHEMBL4071545 OBDepict CH 3 O HN O HN N O N H H N H O N Cl N N N Ki = 0.16 nM 588.03 COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 Homo sapiens CHEMBL3993696 single protein format
CHEMBL4111839 OBDepict Cl N N N N N O Cl H N H H 3 C N O HN CH 3 N Ki = 0.2 nM 590.48 C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2ccnc(c2)-c2c(cnn2C)NC1=O Homo sapiens CHEMBL3889078 single protein format
CHEMBL4638245 OBDepict H 3 C O HN O HN O H H 3 C N H N O F F Cl Ki = 0.26 nM 595.05 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL4618265 single protein format
CHEMBL4203066 OBDepict CH 3 O HN O N H N O N H H N H O H H H 2 N Ki = 0.3 nM 482.59 COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)[C@H]1CC[C@H](CN)CC1)c1nc-2c[nH]1 Homo sapiens CHEMBL4199294 single protein format
CHEMBL3355684 OBDepict OH O F F F NH 2 H H NH O H N N H F N H N NH 2 Ki = 0.3 nM 589.59 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(F)[nH]2)CC1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3377177 single protein format
CHEMBL3127489 OBDepict CH 3 N H O H NH O HO H 3 C O NH 2 NH H 2 N Ki = 0.3 nM 589.7 CCCC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1 Homo sapiens CHEMBL3129742 single protein format
CHEMBL3398612 OBDepict NH 2 H H NH O H N N H Cl N H N NH 2 Ki = 0.31 nM 492.03 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)CC1 Homo sapiens CHEMBL3399896 single protein format
CHEMBL4101766 OBDepict H 3 C O N H O NH N O N H CH 3 H H N H O N Cl N N N Ki = 0.39 nM 590.04 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 Homo sapiens CHEMBL4056973 single protein format
CHEMBL4637027 OBDepict CH 3 H 3 C OH H N O H H 2 N O HO IC50 = 0.4 nM 456.54 CC(C)c1cc(-c2ccc3c(c2)[C@H](N)CO3)cc([C@H](O)Cn2ccc3cccc(C(=O)O)c32)c1 Homo sapiens CHEMBL4621379 single protein format
CHEMBL3580752 OBDepict O NH H N N H N Cl H 3 C N N N N OH H O Ki = 0.5 nM 595.06 Cc1ccc(-n2cnnn2)c(CCC(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4[nH]c(=O)cc(O)c4c3)c(Cl)[nH]2)c1 Homo sapiens CHEMBL3584521 single protein format
CHEMBL3948388 OBDepict O NH N H H O O N H N OH Cl H O Ki = 0.5 nM 542.98 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cc2cc(Cl)ccc2[nH]c1=O)c1ccc2[nH]c(=O)cc(O)c2c1 Homo sapiens CHEMBL3861660 single protein format
CHEMBL4646341 OBDepict H 3 C O HN O HN O H H 3 C N H N O HN F F Cl Ki = 0.5 nM 598.05 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)NC1=O)c1cc-2ccn1 Homo sapiens CHEMBL4618265 single protein format
CHEMBL4216226 OBDepict Cl N H NH O O N H H O N HO H O Ki = 0.5 nM 542.98 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)[nH]c2ccc(Cl)cc12)c1ccc2[nH]c(=O)cc(O)c2c1 Homo sapiens CHEMBL4229810 single protein format
CHEMBL4646441 OBDepict H 3 C O HN O HN O H H 3 C N H N O O H F F Cl Ki = 0.6 nM 599.03 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@H](c3c(F)ccc(Cl)c3F)OC1=O)c1cc-2ccn1 Homo sapiens CHEMBL4618265 single protein format
CHEMBL3699176 OBDepict OH H HN N H N H HN N O O H O CH 3 N Cl N N N Ki = 0.61 nM 592.06 COC(=O)Nc1ccc2c(c1)N[C@@H](CO)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 Homo sapiens CHEMBL4611642 single protein format
CHEMBL3127486 OBDepict NH 2 H HN O HO CH 3 O NH 2 HN NH 2 Ki = 0.64 nM 519.61 C[C@]1(c2ccccc2)C[C@@H](c2cc(N)cc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21 Homo sapiens CHEMBL3129742 single protein format
CHEMBL3127488 OBDepict CH 3 N H O H NH O HO H 3 C O NH 2 NH H 2 N Ki = 0.69 nM 575.67 CCC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1 Homo sapiens CHEMBL3129742 single protein format
CHEMBL4644510 OBDepict H 3 C O NH O N H N O N H H H 3 C H N O O H F F Cl Ki = 0.7 nM 588.01 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@H](c3c(F)ccc(Cl)c3F)OC1=O)c1ncc-2[nH]1 Homo sapiens CHEMBL4618265 single protein format
CHEMBL3127490 OBDepict O NH H NH O OH H 3 C O NH 2 NH H 2 N Ki = 0.72 nM 587.68 C[C@]1(c2ccccc2)C[C@@H](c2cc(NC(=O)C3CC3)cc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21 Homo sapiens CHEMBL3129742 single protein format
CHEMBL4087980 OBDepict CH 3 O HN O HN N O O N H H N H O N Cl N N N Ki = 0.88 nM 590.0 COC(=O)Nc1ccc2c(c1)NC(=O)OC/C=C/C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 Homo sapiens CHEMBL3993696 single protein format
CHEMBL4636247 OBDepict H 3 C O HN O HN O H H 3 C N H N O F F Cl Ki = 0.9 nM 597.06 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL4618265 single protein format
CHEMBL3260342 OBDepict H 3 C O HN O HN O N H N O F F Cl Ki = 0.98 nM 579.0 COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](n1ccc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1 Homo sapiens CHEMBL3271330 single protein format
CHEMBL4216226 OBDepict Cl N H NH O O N H H O N HO H O IC50 = 1.0 nM 542.98 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)[nH]c2ccc(Cl)cc12)c1ccc2[nH]c(=O)cc(O)c2c1 Homo sapiens CHEMBL4199293 single protein format
CHEMBL3676167 OBDepict H 3 C O N H O NH N O N H H N H O N Cl N N N Ki = 1.0 nM 576.02 COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 Homo sapiens CHEMBL3993696 single protein format
CHEMBL3127487 OBDepict CH 3 N H O H NH O HO H 3 C O NH 2 NH H 2 N Ki = 1.0 nM 561.64 CC(=O)Nc1cc(-c2ccc(C(N)=O)cc2C(=O)O)cc([C@@H]2C[C@](C)(c3ccccc3)c3cc(C(=N)N)ccc3N2)c1 Homo sapiens CHEMBL3129742 single protein format
CHEMBL3398615 OBDepict NH 2 F NH O H N N H Cl N H N NH 2 Ki = 1.03 nM 503.97 NCc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)c(F)c1 Homo sapiens CHEMBL3399896 single protein format
CHEMBL4076558 OBDepict H 3 C O N H O NH N O N H CH 3 H H N H O N Cl N N N Ki = 1.1 nM 590.04 COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 Homo sapiens CHEMBL4056973 single protein format
CHEMBL3398614 OBDepict H 2 N HN O H N N H Cl N H N H 2 N Ki = 1.16 nM 485.98 NCc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)cc1 Homo sapiens CHEMBL3399896 single protein format
CHEMBL3398644 OBDepict O N H H N N H N Cl Cl N N N N H N NH 2 Ki = 1.2 nM 585.46 Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)/C=C/c4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc12 Homo sapiens CHEMBL3399896 single protein format
CHEMBL4456818 OBDepict H 3 C O N H O NH O N H N H O N Cl N N N Ki = 1.2 nM 587.04 COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1cc-2ccn1 Homo sapiens CHEMBL4357332 single protein format
CHEMBL3936609 OBDepict H 3 C O N O O NH O Cl H O F F O HO IC50 = 1.3 nM 576.98 COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1OC(F)F Homo sapiens CHEMBL3889018 single protein format
CHEMBL3928217 OBDepict H 3 C O N O NH O Cl N O O HO IC50 = 1.3 nM 535.98 COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL3753020 OBDepict O HN H N H O N Cl N N N N N N H N Ki = 1.4 nM 540.98 O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL3756134 single protein format
CHEMBL3398613 OBDepict NH 2 HN O H N N H Cl N H N H 2 N Ki = 1.49 nM 518.07 NCC12CCC(C(=O)N[C@@H](Cc3ccccc3)c3nc(-c4ccc5c(N)n[nH]c5c4)c(Cl)[nH]3)(CC1)CC2 Homo sapiens CHEMBL3399896 single protein format
CHEMBL3127473 OBDepict HO O O NH 2 H NH H 3 C NH H 2 N Ki = 1.5 nM 504.59 C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21 Homo sapiens CHEMBL3129742 single protein format
CHEMBL3398636 OBDepict O N H N H H N N H N Cl Cl N N N N H N NH 2 Ki = 1.5 nM 588.46 Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc12 Homo sapiens CHEMBL3399896 single protein format
CHEMBL4637480 OBDepict H 3 C O HN O HN N O H H 3 C H N O O H F F Cl Ki = 1.6 nM 599.03 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@H](c3c(F)ccc(Cl)c3F)OC1=O)c1ccnc-2c1 Homo sapiens CHEMBL4618265 single protein format
CHEMBL3754781 OBDepict O N H N H H O N Cl N N HO N N H O Ki = 1.6 nM 558.0 O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1)c1ccc2[nH]c(=O)cc(O)c2c1 Homo sapiens CHEMBL3756134 single protein format
CHEMBL3945139 OBDepict CH 3 O N O NH O Cl N O F F F O HO IC50 = 1.6 nM 549.89 COc1cn(C(CCOC(F)(F)F)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL3973428 OBDepict CH 3 O N HN O O O CH 3 Cl N O OH IC50 = 1.6 nM 495.92 COCCC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889018 single protein format
CHEMBL3752669 OBDepict O HN H N H O F N Cl N N N O OH Ki = 1.7 nM 534.94 O=C(/C=C/c1c(-n2cnnn2)ccc(Cl)c1F)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3756134 single protein format
CHEMBL4638837 OBDepict H 3 C O HN O HN O N H H 3 C H N O O H F F Cl Ki = 1.8 nM 599.03 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@H](c3c(F)ccc(Cl)c3F)OC1=O)c1cncc-2c1 Homo sapiens CHEMBL4618265 single protein format
CHEMBL4452300 OBDepict CH 3 O N H O NH N O N H H N O N H F F Cl Ki = 1.8 nM 585.01 COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CCC(c3c(F)ccc(Cl)c3F)NC1=O)c1nc-2c[nH]1 Homo sapiens CHEMBL4400097 single protein format
CHEMBL3921152 OBDepict H 3 C O N O N H O Cl N O OH IC50 = 1.9 nM 505.96 COc1cn(C(CC2CCC2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL3752251 OBDepict O NH H N H O N Cl N N N N N H O O Ki = 2.0 nM 556.97 O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 Homo sapiens CHEMBL3756134 single protein format
CHEMBL3754069 OBDepict O N H H NH O N Cl N N N O HO Ki = 2.0 nM 516.95 O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL3756134 single protein format
CHEMBL3894338 OBDepict H 3 C O H H N N H O O O CH 3 Cl N O HO IC50 = 2.0 nM 564.04 COc1cn(C(C[C@H]2CC[C@H](OC)CC2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL4646398 OBDepict OH N CH 3 CH 3 O HO O H H 2 N IC50 = 2.0 nM 458.56 CC(C)c1cc(-c2ccc3c(c2)[C@H](N)CO3)cc(C(O)CN2CCc3cccc(C(=O)O)c32)c1 Homo sapiens CHEMBL4621379 single protein format
CHEMBL4530525 OBDepict H 3 C O NH O N H N O N H H 3 C H H NH O N H 3 C N F Cl Ki = 2.1 nM 594.05 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1nc-2c[nH]1 Homo sapiens CHEMBL4357332 single protein format
CHEMBL3398616 OBDepict O NH H N N H NH 2 N Cl N H N NH 2 Ki = 2.15 nM 527.03 Nc1nccc2c1CCC(C(=O)N[C@@H](Cc1ccccc1)c1nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]1)C2 Homo sapiens CHEMBL3399896 single protein format
CHEMBL4460266 OBDepict H 3 C O N H O HN N O N H H N O H F F Cl Ki = 2.2 nM 584.02 COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3c(F)ccc(Cl)c3F)CC1=O)c1nc-2c[nH]1 Homo sapiens CHEMBL4400097 single protein format
CHEMBL3974117 OBDepict CH 3 O N N H O O O CH 3 N H N Cl N O H IC50 = 2.2 nM 507.93 COCCC(C(=O)Nc1ccc2c(=O)[nH][nH]c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889018 single protein format
CHEMBL3914077 OBDepict CH 3 N HN O O O CH 3 F Cl N O OH IC50 = 2.3 nM 483.88 CCC(C(=O)Nc1ccc(C(=O)O)c(F)c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889018 single protein format
CHEMBL3917739 OBDepict H 3 C O N O NH O Cl N O O O HO IC50 = 2.3 nM 537.96 COc1cn(C(CC2COCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL3957607 OBDepict CH 3 O N O NH O Cl N CH 3 O HO IC50 = 2.3 nM 505.96 COc1cn(C(CC2(C)CC2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL3781742 OBDepict CH 3 O N H O O N H N H H O N Cl N N N Ki = 2.4 nM 596.05 COC(=O)Nc1ccc(-c2cc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c(=O)c2)cc1 Homo sapiens CHEMBL3784478 single protein format
CHEMBL3780342 OBDepict H 2 N H H N H O H N H O N H O O CH 3 Ki = 2.4 nM 502.62 COC(=O)Nc1ccc(-c2cc([C@H](Cc3ccccc3)NC(=O)[C@H]3CC[C@H](CN)CC3)[nH]c(=O)c2)cc1 Homo sapiens CHEMBL3784478 single protein format
CHEMBL3927013 OBDepict H 3 C O N N H O O O H 3 C Cl N N N O H O IC50 = 2.5 nM 576.01 CCC1(CC(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)COC1 Homo sapiens CHEMBL3889018 single protein format
CHEMBL3940320 OBDepict H 3 C O N NH O O O H 3 C O Cl O HO F F IC50 = 2.6 nM 536.92 COCCC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(OC)c(-c2cc(Cl)ccc2OC(F)F)cc1=O Homo sapiens CHEMBL3889018 single protein format
CHEMBL3936037 OBDepict CH 3 O N O N H O Cl N H O O HO IC50 = 2.8 nM 521.96 COc1cn(C(C[C@@H]2CCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL71037 OBDepict H N O OH H O N O N N H 2 N NH 2 HN O CH 3 H 3 C CH 3 IC50 = 2.8 nM 425.49 CC(C)(C)NC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN=C(N)N)[C@H]2C(=O)O)CC1 Homo sapiens CHEMBL3129565 single protein format
CHEMBL3941294 OBDepict CH 3 N N H O O O H 3 C Cl N N N S H O IC50 = 2.8 nM 521.99 CCC(C(=O)Nc1ccc(-c2nsc(=O)[nH]2)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889018 single protein format
CHEMBL3913873 OBDepict N Cl Cl O N HN O H O O OH IC50 = 2.9 nM 540.4 N#Cc1ccc(Cl)cc1-c1cc(=O)n(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl Homo sapiens CHEMBL3889018 single protein format
CHEMBL4646141 OBDepict CH 3 O O O HO CH 3 H 3 C O H H 2 N IC50 = 3.0 nM 447.53 COc1cccc(C(=O)O)c1OCCc1cc(-c2ccc3c(c2)[C@H](N)CO3)cc(C(C)C)c1 Homo sapiens CHEMBL4621379 single protein format
CHEMBL4643449 OBDepict OH O O CH 3 H 3 C O H H 2 N IC50 = 3.0 nM 417.51 CC(C)c1cc(COc2ccccc2CC(=O)O)cc(-c2ccc3c(c2)[C@H](N)CO3)c1 Homo sapiens CHEMBL4621379 single protein format
CHEMBL4635912 OBDepict OH O O O CH 3 CH 3 O H H 2 N IC50 = 3.0 nM 445.52 CC1(C)COc2c(COc3ccccc3CC(=O)O)cc(-c3ccc4c(c3)[C@H](N)CO4)cc21 Homo sapiens CHEMBL4621379 single protein format
CHEMBL3355682 OBDepict OH O F F F NH 2 H H NH O H N N H N H N NH 2 Ki = 3.0 nM 571.6 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c[nH]2)CC1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3377177 single protein format
CHEMBL3355681 OBDepict OH O F F F NH 2 H H NH O H N N H F O NH 2 Ki = 3.0 nM 577.58 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(N)=O)cc3)c(F)[nH]2)CC1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3377177 single protein format
CHEMBL3781202 OBDepict NH 2 H H NH O H N O N NH 2 Ki = 3.197 nM 469.59 NC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cc(-c3ccc4c(N)noc4c3)ccn2)CC1 Homo sapiens CHEMBL3784478 single protein format
CHEMBL3930238 OBDepict CH 3 O CH 3 H N HN O O O CH 3 Cl N O OH IC50 = 3.2 nM 509.95 COc1cn(C(C[C@H](C)OC)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL3912373 OBDepict NH 2 HN N O H H N N H O N S O O CH 3 O OH IC50 = 3.2 nM 542.62 CS(=O)(=O)N1CCN([C@H]2C[C@@H](C(=O)Nc3ccc(C(=O)O)cc3)N(C(=O)c3ccc(C(=N)N)cc3)C2)CC1 Homo sapiens CHEMBL3888768 single protein format
CHEMBL4090854 OBDepict CH 3 O HN O HN N O N H H N H O N Cl N N N Ki = 3.2 nM 590.04 COC(=O)Nc1ccc2c(c1)NC(=O)CCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 Homo sapiens CHEMBL3993696 single protein format
CHEMBL3393381 OBDepict NH 2 H H NH O H N N H N H N NH 2 Ki = 3.2 nM 457.58 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c[nH]2)CC1 Homo sapiens CHEMBL3395462 single protein format
CHEMBL4110676 OBDepict H 3 C O N O O NH O Cl H O F F O HO IC50 = 3.4 nM 576.98 COc1cn(C(C[C@H]2CCCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1OC(F)F Homo sapiens CHEMBL3889018 single protein format
CHEMBL3752066 OBDepict H 3 C O NH O NH O H NH O N Cl N N N Ki = 3.4 nM 548.0 COC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)cc1 Homo sapiens CHEMBL3756134 single protein format
CHEMBL3889716 OBDepict CH 3 N N H O O O CH 3 Cl N N H N O H IC50 = 3.5 nM 503.95 CCC(C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889018 single protein format
CHEMBL3979869 OBDepict H 3 C O CH 3 N NH O O O H 3 C Cl N O HO IC50 = 3.6 nM 523.97 CCC(CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O)OC Homo sapiens CHEMBL3889018 single protein format
CHEMBL4635313 OBDepict O NH H N N H N Cl N N N NH O O OH Ki = 3.6 nM 558.99 O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1C/C=C/CCC(=O)Nc2ccc(C(=O)O)cc2-c2c[nH]c1n2 Homo sapiens CHEMBL4611642 single protein format
CHEMBL3780324 OBDepict NH 2 H H NH O H N N OH N H Ki = 3.7 nM 469.59 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccc4[nH]nc(O)c4c3)ccn2)CC1 Homo sapiens CHEMBL3784478 single protein format
CHEMBL3393388 OBDepict NH 2 H H N H O N H O N H N H 2 N Ki = 3.7 nM 484.6 NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)n[nH]c4c3)cc(=O)[nH]2)CC1 Homo sapiens CHEMBL3395462 single protein format
CHEMBL3701220 OBDepict O N H N H O F N Cl N N N O OH Ki = 3.7 nM 546.95 O=C(O)c1ccc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)cc1 Homo sapiens CHEMBL4032027 single protein format
CHEMBL4082071 OBDepict CH 3 O HN O HN N O O N H H N H O N Cl N N N Ki = 3.8 nM 592.02 COC(=O)Nc1ccc2c(c1)NC(=O)OCCCC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 Homo sapiens CHEMBL3993696 single protein format
CHEMBL3780922 OBDepict NH 2 H H NH O H N O N NH 2 Ki = 3.8 nM 469.59 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccc4c(N)noc4c3)ccn2)CC1 Homo sapiens CHEMBL3784478 single protein format
CHEMBL3983013 OBDepict H 3 C O N N H O O O H 3 C N H Cl N O OH IC50 = 3.9 nM 534.96 COCCC(C(=O)Nc1ccc2cc(C(=O)O)[nH]c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889018 single protein format
CHEMBL3954079 OBDepict CH 3 O N O CH 3 + N NH O Cl O _ O O HO IC50 = 3.9 nM 471.85 COc1cn(C(C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1[N+](=O)[O-] Homo sapiens CHEMBL3889018 single protein format
CHEMBL3127469 OBDepict OH O O OH H NH H HN NH 2 Ki = 3.9 nM 491.55 N=C(N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](c1cccc(-c3ccc(C(=O)O)cc3C(=O)O)c1)N2 Homo sapiens CHEMBL3129742 single protein format
CHEMBL4636415 OBDepict N H 3 C H 3 C O O H H 2 N O OH IC50 = 4.0 nM 442.52 CC(C)(C#N)c1cc(COc2ccccc2CC(=O)O)cc(-c2ccc3c(c2)[C@H](N)CO3)c1 Homo sapiens CHEMBL4621379 single protein format
CHEMBL3982518 OBDepict H 3 C O N NH O O Cl Cl N O HO IC50 = 4.0 nM 500.34 COCCC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(Cl)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889018 single protein format
CHEMBL4637683 OBDepict OH O O OH H 3 C H 3 C O H H 2 N IC50 = 4.0 nM 433.5 CC(C)(O)c1cc(COc2ccccc2CC(=O)O)cc(-c2ccc3c(c2)[C@H](N)CO3)c1 Homo sapiens CHEMBL4621379 single protein format
CHEMBL3355680 OBDepict OH O F F F NH 2 H H NH O H N N H Cl O NH 2 Ki = 4.0 nM 594.03 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(N)=O)cc3)c(Cl)[nH]2)CC1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3377177 single protein format
CHEMBL4227153 OBDepict CH 3 O N H O N N N H H O N Cl N N N Ki = 4.1 nM 581.04 COC(=O)Nc1ccc(-c2cc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)cnn2)cc1 Homo sapiens CHEMBL4221624 single protein format
CHEMBL3941923 OBDepict H 3 C O N O NH O Cl N O O HO IC50 = 4.2 nM 535.98 COc1cn(C(CC2CCCOC2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL3898838 OBDepict CH 3 N N H O O O CH 3 N Cl N H O HO IC50 = 4.3 nM 504.93 CCC(C(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889018 single protein format
CHEMBL3982049 OBDepict CH 3 O N O NH O Cl N F F O HO IC50 = 4.3 nM 527.91 COc1cn(C(CC2CC2(F)F)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL4108974 OBDepict CH 3 O N O N H O Cl N H O O HO IC50 = 4.4 nM 521.96 COc1cn(C(C[C@H]2CCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889018 single protein format
CHEMBL3953111 OBDepict H 3 C O N H O N N H H N H O N S O O H 3 C NH NH 2 IC50 = 4.4 nM 593.71 COC(=O)Nc1ccc(-c2cnc([C@@H]3C[C@H](C4CCN(S(C)(=O)=O)CC4)CN3C(=O)c3ccc(C(=N)N)cc3)[nH]2)cc1 Homo sapiens CHEMBL3888768 single protein format
CHEMBL4465144 OBDepict CH 3 O N H O NH N O Cl N H H N O O H Cl Ki = 4.4 nM 584.46 COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3cccc(Cl)c3)OC1=O)c1nc-2c(Cl)[nH]1 Homo sapiens CHEMBL4400097 single protein format
CHEMBL3908677 OBDepict CH 3 O N O O NH O Cl O F F F F F O HO IC50 = 4.5 nM 590.89 COc1cn(C(CCOC(F)(F)F)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1OC(F)F Homo sapiens CHEMBL3889018 single protein format
CHEMBL3897554 OBDepict CH 3 N N H O O O H 3 C Cl N N N O H S IC50 = 4.5 nM 521.99 CCC(C(=O)Nc1ccc(-c2noc(=S)[nH]2)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889018 single protein format