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P07711 | CATL1_HUMAN | Procathepsin L (CTSL)

3D structures mapped by conservation among orthologs

[ Domain: "Cysteine proteinases" // Peptidase_C1 ]

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[ Domain: "Peptidase inhibitors family I29" // Inhibitor_I29 ]

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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
CHEMBL190121 OBDepict H O H 3 C NH O N CH 3 N Ki = 0.025 nM 239.32 C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N Homo sapiens CHEMBL830209 single protein format
CHEMBL191558 OBDepict H 3 C O H N H O N H 3 C N Ki = 0.036 nM 247.3 CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N Homo sapiens CHEMBL830368 single protein format
CHEMBL1651355 OBDepict N N N CH 3 CH 3 O NH H NH O H 3 C H 3 C Ki = 0.045 nM 317.39 CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655225 single protein format
CHEMBL287630 OBDepict O N H O H HN O H O N H H S O O IC50 = 0.1 nM 507.57 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@H]1S(=O)(=O)c1ccccc1)OCc1ccccc1 Homo sapiens CHEMBL660772 single protein format
CHEMBL31788 OBDepict O NH O H N H O H O NH H S IC50 = 0.1 nM 475.57 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@H]1Sc1ccccc1)OCc1ccccc1 Homo sapiens CHEMBL660772 single protein format
CHEMBL604281 OBDepict N N N CH 3 CH 3 O HN H O O Ki = 0.16 nM 366.42 CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655225 single protein format
CHEMBL218024 OBDepict N N N NH N H O O CH 3 IC50 = 0.17 nM 379.46 COc1ccc(CCNC(=O)c2cnc(C#N)nc2NC2CCCCC2)cc1 Homo sapiens CHEMBL911396 single protein format
CHEMBL1651361 OBDepict N N N CH 3 CH 3 O N H H O CH 3 H 3 C N N O S Ki = 0.22 nM 452.54 CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655225 single protein format
CHEMBL385632 OBDepict N N N HN N H O O H 3 C IC50 = 0.31 nM 379.46 COc1cccc(CCNC(=O)c2cnc(C#N)nc2NC2CCCCC2)c1 Homo sapiens CHEMBL911396 single protein format
CHEMBL374890 OBDepict N N N HN NH O CH 3 CH 3 CH 3 N N H 3 C IC50 = 0.33 nM 449.6 CN1CCN(Cc2ccc(CCNC(=O)c3cnc(C#N)nc3NCC(C)(C)C)cc2)CC1 Homo sapiens CHEMBL911396 single protein format
CHEMBL220496 OBDepict CH 3 O N H O N HN N N CH 3 CH 3 CH 3 IC50 = 0.34 nM 367.45 COc1ccc(CCNC(=O)c2cnc(C#N)nc2NCC(C)(C)C)cc1 Homo sapiens CHEMBL911396 single protein format
CHEMBL1651353 OBDepict N N N H 3 C H 3 C O NH H O O OH Ki = 0.36 nM 382.42 CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655225 single protein format
CHEMBL1651354 OBDepict N N N H 3 C H 3 C O N H H HN O H 3 C CH 3 Ki = 0.39 nM 331.42 CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655225 single protein format
CHEMBL1807648 OBDepict O N H N H H H O O O N H H 3 C S O O N IC50 < 0.4 nM 544.67 C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 Homo sapiens CHEMBL1811518 single protein format
CHEMBL4078345 OBDepict CH 3 O HN H O HN H O O Ki = 0.4 nM 484.6 CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL4041119 single protein format
CHEMBL1651352 OBDepict N N N CH 3 CH 3 O N H H O O Ki = 0.4 nM 372.47 CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655225 single protein format
CHEMBL492175 OBDepict Cl N H N H O H 3 C O Cl + N O _ O IC50 = 0.437 nM 392.2 CC(=O)c1c(Nc2ccc(Cl)cc2)[nH]c2c(Cl)cc([N+](=O)[O-])cc2c1=O Homo sapiens CHEMBL1021959 assay format
CHEMBL219536 OBDepict N N N HN N H O N N H 3 C IC50 = 0.45 nM 447.59 CN1CCN(c2ccc(CCNC(=O)c3cnc(C#N)nc3NC3CCCCC3)cc2)CC1 Homo sapiens CHEMBL911396 single protein format
CHEMBL218007 OBDepict N N N HN N H O CH 3 CH 3 CH 3 O N N IC50 = 0.52 nM 447.54 CC(C)(C)CNc1nc(C#N)ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1 Homo sapiens CHEMBL911396 single protein format
CHEMBL1807649 OBDepict H 3 C CH 3 N H H N H O O H O O N H CH 3 S O O N IC50 = 0.53 nM 490.58 CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O Homo sapiens CHEMBL1811518 single protein format
CHEMBL436303 OBDepict CH 3 O O N N H N O N NH N N H 3 C H 3 C CH 3 IC50 = 0.58 nM 477.57 COc1ccc(CCNC(=O)c2cnc(C#N)nc2NCC(C)(C)C)cc1OCCn1ccnc1 Homo sapiens CHEMBL911396 single protein format
CHEMBL48837 OBDepict CH 3 O N H H O O O N H H O O Ki = 0.6 nM 530.62 CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)C=O)cc1 Homo sapiens CHEMBL660648 single protein format
CHEMBL4584291 OBDepict CH 3 O HN H O N H H O Cl Ki = 0.6 nM 489.02 CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL4338384 single protein format
CHEMBL4083754 OBDepict CH 3 CH 3 HN H N H O O O H S O O Ki = 0.61 nM 548.71 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 Homo sapiens CHEMBL4041119 single protein format
CHEMBL384685 OBDepict N N N N H N H O CH 3 CH 3 H 3 C O N N IC50 = 0.68 nM 447.54 CC(C)(C)CNc1nc(C#N)ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1 Homo sapiens CHEMBL911396 single protein format
CHEMBL1215628 OBDepict H 3 C CH 3 N HN N Br O N N N N H 3 C IC50 = 0.7 nM 486.42 CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(C#N)ncc1Br Homo sapiens CHEMBL4223223 single protein format
CHEMBL183812 OBDepict N N O O H 3 C H IC50 = 0.71 nM 250.34 C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N Homo sapiens CHEMBL833537 single protein format
CHEMBL115394 OBDepict O N H O NH O O IC50 = 0.74 nM 430.5 O=CC(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL818674 single protein format
CHEMBL341197 OBDepict CH 3 H 3 C N H H N H O S O O H H 3 C CH 3 O IC50 = 0.74 nM 404.53 CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)C(C)C Homo sapiens CHEMBL660643 single protein format
CHEMBL371420 OBDepict H O H 3 C NH O N H 3 C H 3 C N Ki = 0.79 nM 267.37 CC(C)N(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 Homo sapiens CHEMBL830368 single protein format
CHEMBL414530 OBDepict N N N NH N H O H 3 C CH 3 H 3 C N N CH 3 IC50 = 0.82 nM 435.58 CN1CCN(c2cccc(CCNC(=O)c3cnc(C#N)nc3NCC(C)(C)C)c2)CC1 Homo sapiens CHEMBL911396 single protein format
CHEMBL177914 OBDepict O N H H O N H H OH O O IC50 = 0.85 nM 446.5 O=C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL818674 single protein format
CHEMBL608115 OBDepict N N N H 3 C H 3 C O N H H O O H 3 C CH 3 Ki = 0.9 nM 332.4 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655225 single protein format
CHEMBL134494 OBDepict CH 3 H 3 C N H H N H O S O O H O CH 3 CH 3 IC50 = 0.95 nM 418.56 CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)CC(C)C Homo sapiens CHEMBL660643 single protein format
CHEMBL336591 OBDepict CH 3 H 3 C N H H N H O S O O H O IC50 = 0.95 nM 452.58 CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL660643 single protein format
CHEMBL136252 OBDepict O N H H O HN H N CH 3 H 3 C S H O O IC50 = 0.97 nM 477.59 CC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL271004 OBDepict H 3 C N H H O N O O N O NH H O O O H 3 C H 3 C Ki = 1.0 nM 524.57 CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1 Homo sapiens CHEMBL949947 single protein format
CHEMBL171403 OBDepict O NH O H N H O CH 3 H 3 C H N H N Ki = 1.0 nM 556.75 CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1 Homo sapiens CHEMBL660654 single protein format
CHEMBL1807698 OBDepict H 3 C HN H HN O O H O O N H CH 3 S O O N IC50 = 1.0 nM 544.67 CC1CCC(C[C@H](NC(=O)c2ccco2)C(=O)N[C@H]2CC[C@@H](C)N(S(=O)(=O)c3ccccn3)CC2=O)CC1 Homo sapiens CHEMBL1811518 single protein format
CHEMBL1651357 OBDepict N N N CH 3 H 3 C O HN H HN O CH 3 CH 3 N N O S Ki = 1.1 nM 481.58 CC(C)C[C@H](NC(=O)NCc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655225 single protein format
CHEMBL198299 OBDepict CH 3 O HN NH O NH H O CH 3 Ki = 1.1 nM 481.6 COc1ccc(NCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(C)c2)cc1 Homo sapiens CHEMBL872396 single protein format
CHEMBL386506 OBDepict N N N N H NH O IC50 = 1.1 nM 349.44 N#Cc1ncc(C(=O)NCCc2ccccc2)c(NC2CCCCC2)n1 Homo sapiens CHEMBL911396 single protein format
CHEMBL198318 OBDepict CH 3 O HN NH O NH H O CH 3 Ki = 1.2 nM 507.63 COc1ccc(NCCNC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)c2cccc(C)c2)cc1 Homo sapiens CHEMBL872396 single protein format
CHEMBL4066422 OBDepict N NH O H N H O Cl O O Ki = 1.2 nM 501.97 N#CC1(NC(=O)[C@@H]2Cc3ccc(c(Cl)c3)OC/C=C/COc3cc4ccccc4cc3C(=O)N2)CC1 Homo sapiens CHEMBL4049056 single protein format
CHEMBL1807647 OBDepict O N H N H H H O O O N H H 3 C S O O N IC50 = 1.2 nM 530.65 C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 Homo sapiens CHEMBL1811518 single protein format
CHEMBL221707 OBDepict CH 3 O N H O N NH N N H 3 C H 3 C CH 3 IC50 = 1.2 nM 367.45 COc1cccc(CCNC(=O)c2cnc(C#N)nc2NCC(C)(C)C)c1 Homo sapiens CHEMBL911396 single protein format
CHEMBL3804928 OBDepict N NH H O O NH H N O O N N O OH Ki = 1.27 nM 520.55 N#C[C@H](COCc1cn(CCC(=O)O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3807031 assay format
CHEMBL99195 OBDepict CH 3 S N H H O O HN H O O CH 3 CH 3 Ki = 1.3 nM 380.51 CSCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL660654 single protein format
CHEMBL1651356 OBDepict N N N H 3 C CH 3 O NH H NH O H 3 C H 3 C N N O CH 3 Ki = 1.4 nM 413.48 Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1 Homo sapiens CHEMBL1655225 single protein format
CHEMBL198016 OBDepict CH 3 O N H N H O N H H O CH 3 Cl Ki = 1.4 nM 465.98 COc1ccc(NCCNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2cccc(C)c2)cc1 Homo sapiens CHEMBL872396 single protein format
CHEMBL336415 OBDepict CH 3 H 3 C N H H N H O S O O H O OH IC50 = 1.4 nM 468.58 CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 Homo sapiens CHEMBL660643 single protein format
CHEMBL161817 OBDepict H 3 C O O S O N H H O NH H O O Ki = 1.5 nM 576.72 CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL660653 single protein format
CHEMBL199070 OBDepict H 3 C O NH HN O HN H O Cl H 3 C Ki = 1.5 nM 465.98 COc1ccc(NCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(C)c2)cc1 Homo sapiens CHEMBL872396 single protein format
CHEMBL4475066 OBDepict CH 3 O HN H O N H H O F Ki = 1.5 nM 472.56 CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4338384 single protein format
CHEMBL1651242 OBDepict H HN N O H 3 C CH 3 N CH 3 O O CH 3 N Ki = 1.5 nM 318.38 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655225 single protein format
CHEMBL4093018 OBDepict H 3 C S O O HN H N H O O Cl N IC50 = 1.6 nM 498.0 CSc1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OC/C=C/CO2 Homo sapiens CHEMBL3888092 single protein format
CHEMBL3891991 OBDepict H 3 C S O O HN H N H O O Cl N IC50 = 1.6 nM 500.02 CSc1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OCCCCO2 Homo sapiens CHEMBL3888092 single protein format
CHEMBL203328 OBDepict H 3 C O HN N H CH 3 H O NH H O H 3 C CH 3 CH 3 Ki = 1.6 nM 411.55 COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 Homo sapiens CHEMBL865576 single protein format
CHEMBL521771 OBDepict H 3 C Cl N H N H O H 3 C O + N O _ O Cl IC50 = 1.66 nM 406.23 CC(=O)c1c(Nc2ccc(C)cc2Cl)[nH]c2c([N+](=O)[O-])cc(Cl)cc2c1=O Homo sapiens CHEMBL1021959 assay format
CHEMBL161651 OBDepict O HN O H N H O H O S H 3 C CH 3 H 3 C Ki = 1.7 nM 532.71 CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL660653 single protein format
CHEMBL449096 OBDepict N N N HN NH O CH 3 CH 3 CH 3 O N H 3 C IC50 = 1.7 nM 450.59 CN1CCC(Oc2ccc(CCNC(=O)c3cnc(C#N)nc3NCC(C)(C)C)cc2)CC1 Homo sapiens CHEMBL911396 single protein format
CHEMBL115676 OBDepict H 3 C H 3 C HN H HN O S O O H O N H IC50 = 1.9 nM 491.61 CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL820320 single protein format
CHEMBL1790993 OBDepict O N H H O HN H N H 3 C H S H H 3 C O O IC50 = 1.9 nM 491.61 CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL354439 OBDepict CH 3 CH 3 HN H N H O O O H N H N Ki = 2.0 nM 570.78 CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1 Homo sapiens CHEMBL660654 single protein format
CHEMBL1651349 OBDepict N N N CH 3 H 3 C O HN H N H O H 3 C CH 3 N N O CH 3 Ki = 2.0 nM 399.46 Cc1nc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1 Homo sapiens CHEMBL1655225 single protein format
CHEMBL170242 OBDepict CH 3 H 3 C N H H N H O O O H NH N O Ki = 2.0 nM 558.72 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(N2CCOCC2)cc1)Cc1ccccc1 Homo sapiens CHEMBL660654 single protein format
CHEMBL1790991 OBDepict O N H H O N H H N H 3 C H H CH 3 N H O F F F IC50 = 2.0 nM 488.51 CC[C@@H](C)[C@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL353725 OBDepict CH 3 H 3 C N H H N H O O O H NH N Ki = 2.0 nM 556.75 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(N2CCCCC2)cc1)Cc1ccccc1 Homo sapiens CHEMBL660654 single protein format
CHEMBL203665 OBDepict H 3 C CH 3 N H H N H O O H O O N H CH 3 S O O N IC50 = 2.0 nM 540.64 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O Homo sapiens CHEMBL945092 cell-based format
CHEMBL1790989 OBDepict O N H H O N H H N H 3 C H H CH 3 N H O IC50 = 2.0 nM 470.57 CC[C@@H](C)[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL1790996 OBDepict O N H H O N H H N H 3 C H H CH 3 O IC50 = 2.1 nM 405.5 CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL286364 OBDepict H 3 C CH 3 N H H N H O O H O O N S O O N Ki = 2.2 nM 526.62 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O Homo sapiens CHEMBL818676 single protein format
CHEMBL4062015 OBDepict O HN O H N H O H + N O _ O O CH 3 Ki = 2.2 nM 529.59 CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4041119 single protein format
CHEMBL1791000 OBDepict O N H H O N H N H 3 C H H CH 3 N H SH IC50 = 2.2 nM 436.58 CC[C@@H](C)[C@H](/N=C(S)Nc1ccccc1)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL1790999 OBDepict O N H H O HN H N H 3 C H S H H 3 C O O H 3 C IC50 = 2.2 nM 455.58 CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL1790995 OBDepict O N H H O N H N CH 3 H H H 3 C N H SH IC50 = 2.2 nM 450.61 CC[C@@H](C)[C@H](/N=C(S)NCc1ccccc1)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL341577 OBDepict O N H H O N H H N S H O O CH 3 H 3 C IC50 = 2.2 nM 491.61 CC(C)C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL4099651 OBDepict N N H O H NH O N Cl N O H 3 C H 3 C CH 3 Ki = 2.3 nM 496.01 CC(C)(C)c1cc2nn1CC/C=C/COc1ccc(cc1Cl)C[C@@H](C(=O)NC1(C#N)CC1)NC2=O Homo sapiens CHEMBL4049056 single protein format
CHEMBL4071237 OBDepict N N H O H HN O Cl O O F F F Ki = 2.4 nM 519.91 N#CC1(NC(=O)[C@@H]2Cc3ccc(c(Cl)c3)OC/C=C/COc3cc(C(F)(F)F)ccc3C(=O)N2)CC1 Homo sapiens CHEMBL4049056 single protein format
CHEMBL4064172 OBDepict N N H O H NH O N Cl N O Ki = 2.5 nM 479.97 N#CC1(NC(=O)[C@@H]2Cc3ccc(c(Cl)c3)OC/C=C/CCn3nc(cc3C3CC3)C(=O)N2)CC1 Homo sapiens CHEMBL4049056 single protein format
CHEMBL1651351 OBDepict H 3 C CH 3 H N H H N O N CH 3 O O CH 3 N Ki = 2.6 nM 332.4 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655225 single protein format
CHEMBL30401 OBDepict O NH O H N H O H O NH H O IC50 = 2.6 nM 459.5 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@@H]1Oc1ccccc1)OCc1ccccc1 Homo sapiens CHEMBL660772 single protein format
CHEMBL103238 OBDepict O NH O H N H O H O S Ki = 2.8 nM 594.78 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1 Homo sapiens CHEMBL660653 single protein format
CHEMBL195999 OBDepict CH 3 O NH HN O HN H O H 3 C F F F Ki = 2.8 nM 499.53 COc1ccc(NCCNC(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)NC(=O)c2cccc(C)c2)cc1 Homo sapiens CHEMBL872396 single protein format
CHEMBL3987059 OBDepict N NH O H N H O Cl O O Ki = 3.0 nM 508.02 N#CC1(NC(=O)[C@@H]2Cc3ccc(c(Cl)c3)OCCCCOc3cc4c(cc3C(=O)N2)CCCC4)CC1 Homo sapiens CHEMBL4049056 single protein format
CHEMBL122591 OBDepict O NH H 3 C H O HN H O O IC50 = 3.0 nM 354.41 C[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL660642 tissue-based format
CHEMBL423112 OBDepict O NH O NH H CH 3 CH 3 O O IC50 = 3.1 nM 382.46 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1 Homo sapiens CHEMBL4718383 single protein format
CHEMBL334443 OBDepict CH 3 H 3 C N H H N H O S O O H 3 C H O IC50 = 3.1 nM 376.48 CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](C)C=O Homo sapiens CHEMBL660643 single protein format
CHEMBL3927619 OBDepict N NH O H N H O Cl O O N H IC50 = 3.1 nM 509.01 N#CC1(NC(=O)[C@@H]2Cc3ccc(c(Cl)c3)OCCCCOc3ccc(C4CNC4)cc3C(=O)N2)CC1 Homo sapiens CHEMBL3888092 single protein format
CHEMBL1790997 OBDepict O N H H O N H H N H 3 C H H CH 3 N H O H 3 C IC50 = 3.3 nM 434.54 CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL1791001 OBDepict O HN H O N NH H H CH 3 H CH 3 O O H 3 C H 3 C CH 3 IC50 = 3.3 nM 401.51 CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL436756 OBDepict CH 3 O N H N H O N H H O CH 3 H 3 C Ki = 3.4 nM 445.56 COc1ccc(NCCNC(=O)[C@H](Cc2ccc(C)cc2)NC(=O)c2cccc(C)c2)cc1 Homo sapiens CHEMBL872396 single protein format
CHEMBL4096388 OBDepict H 3 C CH 3 N H H N H O O O H O CH 3 + N O _ O Ki = 3.5 nM 495.58 CC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4041119 single protein format
CHEMBL259379 OBDepict NH 2 HN S N S Cl Cl IC50 = 3.6 nM 330.26 NC(=S)N/N=C(/c1cc(Cl)cc(Cl)c1)c1cccs1 Homo sapiens CHEMBL929237 single protein format
CHEMBL4087751 OBDepict N HN O H NH O Cl O O S O O CH 3 Ki = 3.7 nM 530.0 CS(=O)(=O)c1ccc2c(c1)C(=O)N[C@H](C(=O)NC1(C#N)CC1)Cc1ccc(c(Cl)c1)OC/C=C/CO2 Homo sapiens CHEMBL4049056 single protein format
CHEMBL380989 OBDepict H 3 C O NH HN O HN H O H 3 C Ki = 3.7 nM 431.54 COc1ccc(NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C)c2)cc1 Homo sapiens CHEMBL872396 single protein format
CHEMBL1807645 OBDepict O N H N H H H O O O N H CH 3 S O O N IC50 = 3.8 nM 514.6 C[C@@H]1CC[C@H](NC(=O)[C@H](CC2=CCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 Homo sapiens CHEMBL1811518 single protein format
CHEMBL220760 OBDepict N N N NH HN O H 3 C H 3 C CH 3 N N CH 3 IC50 = 3.9 nM 435.58 CN1CCN(c2ccc(CCNC(=O)c3cnc(C#N)nc3NCC(C)(C)C)cc2)CC1 Homo sapiens CHEMBL911396 single protein format
CHEMBL1791004 OBDepict O N H H O HN H N H 3 C H S H H 3 C O O IC50 = 3.9 nM 491.61 CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL660643 single protein format
CHEMBL379079 OBDepict O N H HN H H N O N H S O O H 3 C O O F F F Ki = 4.0 nM 592.68 CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 Homo sapiens CHEMBL912118 single protein format