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P08246 | ELNE_HUMAN | Neutrophil elastase (ELANE)

3D structures mapped by conservation among orthologs

[ Domain: "FMN-binding split barrel 2" // Trypsin_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
CHEMBL162877 OBDepict O O Cl Cl N O S O O O N CH 3 H 3 C O Ki = 0.008 nM 557.45 CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O Homo sapiens CHEMBL673112 single protein format
CHEMBL539031 OBDepict O O Cl Cl O S O O O N CH 3 H 3 C O ClH Ki = 0.008 nM 592.92 CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O.Cl Homo sapiens CHEMBL677606 single protein format
CHEMBL163414 OBDepict CH 3 O S H 3 C CH 3 O O N O O O Cl Cl O O HO Ki = 0.011 nM 532.35 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCC(=O)O)c1Cl)C2=O Homo sapiens CHEMBL673112 single protein format
CHEMBL114992 OBDepict CH 3 O S H 3 C CH 3 O O N O O O Cl Cl O N O Ki = 0.013 nM 587.48 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)C2=O Homo sapiens CHEMBL674888 single protein format
CHEMBL142100 OBDepict CH 3 O S H 3 C CH 3 O O N O O O O Ki = 0.013 nM 457.5 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cc3ccccc3)C(=O)OC1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL543416 OBDepict O N N H N H N H S H 3 C CH 3 O O O CH 3 NH ClH Ki = 0.014 nM 457.98 CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3cnc(CNC4CC4)cn3)[C@@H]12.Cl Homo sapiens CHEMBL675302 single protein format
CHEMBL435666 OBDepict CH 3 O S CH 3 CH 3 O O N O O O Cl Cl O N Ki = 0.014 nM 571.48 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCCC3)c1Cl)C2=O Homo sapiens CHEMBL673112 single protein format
CHEMBL140865 OBDepict CH 3 O S H 3 C CH 3 O O N O O CH 3 O O Ki = 0.016 nM 471.53 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cc3ccccc3)C(=O)OC1C)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL142526 OBDepict CH 3 O S H 3 C CH 3 O O N O O CH 3 O O Ki = 0.021 nM 457.5 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(c3ccccc3)C(=O)OC1C)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL12082 OBDepict CH 3 O O O N S CH 3 O O O O Cl Cl O N O Ki = 0.022 nM 589.45 CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O Homo sapiens CHEMBL698901 single protein format
CHEMBL115827 OBDepict H 3 C O S CH 3 H 3 C O O N O O O Cl Cl Ki = 0.023 nM 458.32 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)cccc1Cl)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL142099 OBDepict CH 3 O S H 3 C CH 3 O O N O O O O Ki = 0.025 nM 443.48 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(c3ccccc3)C(=O)OC1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL344940 OBDepict CH 3 O S H 3 C CH 3 O O N O O Cl H 3 C O O Ki = 0.025 nM 427.86 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C)oc(=O)c1Cl)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL356043 OBDepict H 3 C O S H 3 C CH 3 O O N O O CH 3 O O O Ki = 0.027 nM 497.53 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C)oc(=O)c1C(=O)c1ccccc1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL143819 OBDepict CH 3 O S H 3 C CH 3 O O N O O O Cl O Ki = 0.03 nM 401.82 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cl)C(=O)OC1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL314218 OBDepict O O Cl Cl N S O O O CH 3 H 3 C Ki = 0.03 nM 428.29 CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Homo sapiens CHEMBL677606 single protein format
CHEMBL325155 OBDepict F S CH 3 H 3 C O O N O O O Cl Cl Ki = 0.03 nM 446.28 CC(C)c1cc(F)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Homo sapiens CHEMBL694281 single protein format
CHEMBL142960 OBDepict CH 3 O S CH 3 CH 3 O O N O O O Ki = 0.033 nM 351.38 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)C1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL357694 OBDepict CH 3 O S H 3 C CH 3 O O N O O O Ki = 0.034 nM 455.53 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cc3ccccc3)C(=O)CC1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL41327 OBDepict CH 3 O P O O O N CH 3 S O O O H 3 C CH 3 O H 3 C Ki = 0.035 nM 421.41 CCOP(=O)(OCC)OCN1C(=O)c2c(C(C)C)cc(OC)cc2S1(=O)=O Homo sapiens CHEMBL677608 single protein format
CHEMBL2367667 OBDepict CH 2 H O N H N S H O O O O IC50 = 0.036 nM 490.58 C=CC[C@H]1C(=O)N(S(=O)(=O)c2ccc3ccccc3c2)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]21 Homo sapiens CHEMBL675349 single protein format
CHEMBL11558 OBDepict H 3 C O O O N S H 3 C O O O O Cl Cl Ki = 0.049 nM 460.29 CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Homo sapiens CHEMBL698901 single protein format
CHEMBL143136 OBDepict CH 3 O S H 3 C CH 3 O O N O O H 3 C O O Ki = 0.05 nM 393.42 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C)oc(=O)c1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL343599 OBDepict CH 3 O S H 3 C CH 3 O O N O O O O Ki = 0.052 nM 367.38 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)OC1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL142579 OBDepict CH 3 O S H 3 C CH 3 O O N O O N Br N O Ki = 0.058 nM 508.35 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1Br)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL91944 OBDepict CH 3 H 3 C O N S O O O O Cl Cl Ki = 0.06 nM 442.32 CCC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Homo sapiens CHEMBL677606 single protein format
CHEMBL142288 OBDepict CH 3 O S H 3 C CH 3 O O N O O CH 3 O Ki = 0.06 nM 379.43 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(C)C(=O)CC1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL3617973 OBDepict N S O O CH 3 H N H 3 C O N N CH 3 F F F IC50 = 0.065 nM 474.46 CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4265089 single protein format
CHEMBL344750 OBDepict CH 3 O S H 3 C CH 3 O O N O O N Cl N O Ki = 0.066 nM 463.9 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1Cl)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL41881 OBDepict CH 3 O P O O O N CH 3 S O O O CH 3 CH 3 Ki = 0.07 nM 405.41 CCOP(=O)(OCC)OCN1C(=O)c2c(C(C)CC)cccc2S1(=O)=O Homo sapiens CHEMBL677608 single protein format
CHEMBL434320 OBDepict H 3 C O S CH 3 H 3 C O O N O O N O N Ki = 0.078 nM 429.45 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3ccccc3n1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL11874 OBDepict H 3 C O O O N S O O H 3 C O O Cl Cl Ki = 0.08 nM 474.32 CCOc1cc(OCC)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)cccc1Cl)C2=O Homo sapiens CHEMBL698901 single protein format
CHEMBL3617973 OBDepict N S O O CH 3 H N H 3 C O N N CH 3 F F F Ki = 0.08 nM 474.46 CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3620648 single protein format
CHEMBL12051 OBDepict CH 3 O O O N S CH 3 O O O O Cl Cl Ki = 0.08 nM 446.26 COc1cc(OC)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)cccc1Cl)C2=O Homo sapiens CHEMBL698901 single protein format
CHEMBL141329 OBDepict CH 3 O S H 3 C CH 3 O O N O O O Ki = 0.083 nM 413.45 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)c3ccccc31)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL142555 OBDepict CH 3 O S H 3 C CH 3 O O N O O O O Ki = 0.09 nM 429.45 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)oc3ccccc13)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL143417 OBDepict CH 3 O S H 3 C CH 3 O O N O O CH 3 O O Ki = 0.093 nM 381.41 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)OC1C)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL293138 OBDepict O N H S CH 3 O N O S S O HO IC50 = 0.1 nM 388.49 CC(SC(=O)c1cccs1)C(=O)NCC(=O)N1CSCC1C(=O)O Homo sapiens CHEMBL679049 single protein format
CHEMBL288810 OBDepict CH 3 O P O O O N CH 3 S O O O H 3 C CH 3 Ki = 0.1 nM 391.38 CCOP(=O)(OCC)OCN1C(=O)c2c(C(C)C)cccc2S1(=O)=O Homo sapiens CHEMBL677608 single protein format
CHEMBL143365 OBDepict CH 3 O S H 3 C CH 3 O O N O O N O N Ki = 0.11 nM 433.49 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3c(n1)CCCC3)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL269223 OBDepict CH 3 O O O N S O O CH 3 O O Cl Cl O N Ki = 0.11 nM 587.48 CCOc1cc(OCC)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCCC3)c1Cl)C2=O Homo sapiens CHEMBL698901 single protein format
CHEMBL343281 OBDepict CH 3 O S H 3 C CH 3 O O N O O N O Ki = 0.14 nM 456.52 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)N(Cc3ccccc3)C1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL542949 OBDepict O N N H O H N H S H 3 C H 3 C O N O O CH 3 ClH Ki = 0.16 nM 460.98 CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3coc(CN4CCCC4)n3)[C@@H]12.Cl Homo sapiens CHEMBL675302 single protein format
CHEMBL11758 OBDepict CH 3 O O N S O O O O Cl Cl Ki = 0.17 nM 430.26 CCOc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Homo sapiens CHEMBL698901 single protein format
CHEMBL432049 OBDepict CH 3 O N S O O O O Cl Cl Ki = 0.17 nM 414.27 CCc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Homo sapiens CHEMBL677606 single protein format
CHEMBL422298 OBDepict CH 3 O S H 3 C CH 3 O O N O O CH 3 O Ki = 0.18 nM 393.46 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(C)C(=O)CCC1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL112575 OBDepict H 3 C O H 3 C O O N S CH 3 O O S N N N N Ki = 0.2 nM 475.55 CCCc1c(OC)c(OC)cc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Homo sapiens CHEMBL694281 single protein format
CHEMBL3617966 OBDepict CH 3 N H O O N N CH 3 N F F F N IC50 = 0.21 nM 477.45 CNC(=O)c1cc(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O Homo sapiens CHEMBL3620524 single protein format
CHEMBL356732 OBDepict O N S O O O CH 3 H 3 C N Cl N O Ki = 0.21 nM 433.87 CC(C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O Homo sapiens CHEMBL672345 single protein format
CHEMBL11099 OBDepict O NH N B N O O O CH 3 H 3 C HN S H 3 C CH 3 H 3 C H 3 C O O F Ki = 0.21 nM 590.53 CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(NS(=O)(=O)C2CCCCC2)c1=O)B1OC(C)(C)C(C)(C)O1 Homo sapiens CHEMBL677603 single protein format
CHEMBL341905 OBDepict CH 3 O S H 3 C CH 3 O O N O O O S Ki = 0.22 nM 445.52 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)sc3ccccc13)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL11913 OBDepict CH 3 O H 3 C O N S O O O O Cl Cl Ki = 0.24 nM 444.29 CC(C)Oc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Homo sapiens CHEMBL698901 single protein format
CHEMBL356962 OBDepict CH 3 O S H 3 C CH 3 O O N O O N CH 3 N O Ki = 0.25 nM 443.48 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1C)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL4744163 OBDepict N S O NH CH 3 H N H 3 C O N N CH 3 F F F IC50 = 0.25 nM 473.48 CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=N)=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4709767 single protein format
CHEMBL98422 OBDepict CH 3 O S H 3 C CH 3 O O N O S N N N N Ki = 0.27 nM 445.53 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(CSc1nnnn1-c1ccccc1)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL3906167 OBDepict N S O O H 3 C H N + N N O O N _ C H 3 C H HO F F F IC50 < 0.3 nM 573.55 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C(=O)N2CC[C@H](O)C2)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL4112024 OBDepict N S O O CH 3 H N + N S _ C CH 3 N O O O CH 3 F F F IC50 < 0.3 nM 538.53 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(S(C)(=O)=O)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL4115101 OBDepict N S O O H 3 C H N H 3 C + N O N _ C CH 3 F F F IC50 < 0.3 nM 488.49 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)[C@@H]1c1ccc(C#N)cc1S(=O)(=O)CC Homo sapiens CHEMBL3887455 single protein format
CHEMBL3655706 OBDepict N H N N + N N N _ C CH 3 N H O F F F IC50 < 0.3 nM 531.54 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)c2nc(NC(=O)C3CCCCC3)nn2[C@@H]1c1ccc(C#N)cc1 Homo sapiens CHEMBL3705097 single protein format
CHEMBL4107159 OBDepict N S O O H 3 C H N S N O N O O O H 3 C H 3 C F F F IC50 < 0.3 nM 568.56 CN1CC2=C(C1=O)[C@@H](c1ccc(C#N)cc1S(C)(=O)=O)N(S(C)(=O)=O)C(=O)N2c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3887455 single protein format
CHEMBL4109050 OBDepict N S H 3 C H NH + N O N _ C H 3 C F F F IC50 < 0.3 nM 428.44 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)cc1SC Homo sapiens CHEMBL3887455 single protein format
CHEMBL4109727 OBDepict N S O O H 3 C H N + N N O O N _ C H 3 C HO F F F IC50 < 0.3 nM 559.53 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C(=O)N2CC(O)C2)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL4108333 OBDepict N S O O CH 3 H N + N N O O N _ C CH 3 H NH 2 F F F IC50 < 0.3 nM 586.6 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C(=O)N2CCC[C@@H](N)C2)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL4114148 OBDepict N S O O CH 3 H N + N NH O O N _ C CH 3 H 3 C CH 3 HO F F F IC50 < 0.3 nM 575.57 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C(=O)NC(C)(C)CO)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL4115506 OBDepict N N O N H + N CH 3 _ C S O O H 3 C F F F N IC50 < 0.3 nM 499.47 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CC#N)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL4109305 OBDepict N S O O CH 3 H N + N O O O N _ C H 3 C F F F IC50 < 0.3 nM 594.57 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C(=O)OCc2ccccc2)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL4113987 OBDepict _ C + N CH 3 N H N H O S O O F F F N IC50 < 0.3 nM 522.51 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)cc1S(=O)(=O)c1ccccc1 Homo sapiens CHEMBL3887455 single protein format
CHEMBL4112664 OBDepict N S O O H 3 C H N + N S _ C H 3 C N O O O F F F IC50 < 0.3 nM 564.57 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(S(=O)(=O)C2CC2)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL4108394 OBDepict N S O O CH 3 H N H 3 C + N O N _ C CH 3 F F F IC50 < 0.3 nM 474.46 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL3655708 OBDepict CH 3 O O N CH 3 N N N N H N O O F F F CH 3 IC50 < 0.3 nM 540.5 CCOC(=O)Nc1nc2n(n1)C(c1ccc(C#N)cc1)C(C(=O)OCC)=C(C)N2c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3705097 single protein format
CHEMBL3655705 OBDepict N S O O H 3 C H N N + N N N _ C H 3 C NH 2 F F F IC50 < 0.3 nM 499.48 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)c2nc(N)nn2[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3705097 single protein format
CHEMBL3912018 OBDepict N N O N CH 3 CH 3 O N O CH 3 CH 3 N N H F F F IC50 = 0.3 nM 550.54 CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C(=O)N(C)Cc1cn[nH]c1 Homo sapiens CHEMBL3888096 single protein format
CHEMBL4110495 OBDepict N + S CH 3 _ O H NH + N O N _ C H 3 C F F F IC50 = 0.3 nM 444.44 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)cc1[S@+](C)[O-] Homo sapiens CHEMBL3887455 single protein format
CHEMBL3617972 OBDepict N S O O CH 3 H N H O N N CH 3 F F F IC50 < 0.3 nM 460.44 CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3620648 single protein format
CHEMBL50974 OBDepict H 3 C CH 3 O N S O O S N N N N Ki = 0.3 nM 415.5 CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Homo sapiens CHEMBL878397 single protein format
CHEMBL3655707 OBDepict N S O O H 3 C H N N + N N N _ C H 3 C NH O F F F IC50 < 0.3 nM 567.55 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)c2nc(NC(=O)C3CC3)nn2[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3705097 single protein format
CHEMBL3655709 OBDepict HO NH NH O N N N N H CH 3 + N _ C F F F N IC50 < 0.3 nM 508.46 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)c2nc(NC(=O)NCCO)nn2[C@@H]1c1ccc(C#N)cc1 Homo sapiens CHEMBL3705097 single protein format
CHEMBL3659901 OBDepict H 3 C HN N N N N H + N CH 3 _ C F F F N IC50 < 0.3 nM 449.44 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)c2nc(NCC)nn2[C@@H]1c1ccc(C#N)cc1 Homo sapiens CHEMBL3705097 single protein format
CHEMBL4107274 OBDepict OH N H N O O N H + N H 3 C _ C S O O CH 3 F F F N IC50 < 0.3 nM 547.52 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C(=O)NCCO)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL4112686 OBDepict OH O N H N O O N H + N H 3 C _ C S O O CH 3 F F F N IC50 < 0.3 nM 591.57 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C(=O)NCCOCCO)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL2368616 OBDepict O N H H N H N S CH 3 CH 3 O O O H 3 C ClH Ki = 0.31 nM 434.0 CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]12.Cl Homo sapiens CHEMBL675302 single protein format
CHEMBL274582 OBDepict CH 3 O O O N S CH 3 O O O O Cl Cl Ki = 0.34 nM 474.32 CCCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Homo sapiens CHEMBL698901 single protein format
CHEMBL567956 OBDepict CH 3 H 3 C O N O S N O Ki = 0.34 nM 380.47 CCC1(CC)C(=O)N(c2ccc(CSc3nc4ccccc4o3)cc2)C1=O Homo sapiens CHEMBL1045283 single protein format
CHEMBL108477 OBDepict H 3 C O HN O F F O N H H CH 3 CH 3 O H N O N H H CH 3 H 3 C O O Ki = 0.35 nM 596.67 CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Homo sapiens CHEMBL674889 single protein format
CHEMBL302961 OBDepict O HN O H N O CH 3 CH 3 H N H O H O H 3 C H 3 C F F O NH 2 Ki = 0.38 nM 524.57 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(N)=O)C(C)C Homo sapiens CHEMBL674889 single protein format
CHEMBL306202 OBDepict O N H O H N O H 3 C CH 3 H NH O H O CH 3 H 3 C F F N H O O CH 3 H 3 C CH 3 Ki = 0.39 nM 596.67 CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)CNC(=O)OC(C)(C)C)C(C)C Homo sapiens CHEMBL694279 single protein format
CHEMBL56136 OBDepict CH 3 H 3 C NH H N O O NH O O O H 3 C H 3 C F F F Ki = 0.41 nM 561.6 CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(C)C)C(=O)C(F)(F)F Homo sapiens CHEMBL673106 tissue-based format
CHEMBL55912 OBDepict CH 3 O O N H O H N O CH 3 H 3 C N H O O H 3 C CH 3 F F F Ki = 0.43 nM 567.61 CCOC(=O)c1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCCC2C(=O)NC(C(=O)C(F)(F)F)C(C)C)C(C)C)cc1 Homo sapiens CHEMBL673106 tissue-based format
CHEMBL4107034 OBDepict N S O O CH 3 H N + N O N _ C CH 3 O H 2 N F F F IC50 = 0.45 nM 517.49 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CC(N)=O)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL274347 OBDepict H 3 C O S O O N O O O Cl Cl Ki = 0.47 nM 416.24 COc1ccc2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)cccc1Cl)C2=O Homo sapiens CHEMBL698901 single protein format
CHEMBL4107106 OBDepict N S O O CH 3 H N H + N O N _ C CH 3 F F F IC50 = 0.5 nM 460.44 [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O Homo sapiens CHEMBL3887455 single protein format
CHEMBL3617965 OBDepict N + S _ O CH 3 N N H O O F F F N O IC50 = 0.5 nM 570.59 Cc1c([S+]([O-])c2ccc(C#N)cc2)cc(C(=O)NCCCN2CCCC2=O)c(=O)n1-c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3620524 single protein format
CHEMBL139568 OBDepict CH 3 O S H 3 C CH 3 O O N O O O N H 3 C Ki = 0.5 nM 442.49 COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n(C)c3ccccc13)C2=O Homo sapiens CHEMBL672345 single protein format
CHEMBL578586 OBDepict CH 3 H 3 C O N O N S N S Ki = 0.5 nM 397.53 CCC1(CC)C(=O)N(c2ccc(CSc3nc4ccccc4s3)nc2)C1=O Homo sapiens CHEMBL1045283 single protein format
CHEMBL277672 OBDepict F N N O H 2 N N H O H O CH 3 H 3 C N O N H 3 C H 3 C Ki = 0.52 nM 532.58 CC(C)[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)c2ccccc2)o1 Homo sapiens CHEMBL699807 single protein format
CHEMBL354832 OBDepict O NH O H N O CH 3 H 3 C H N H O H O CH 3 H 3 C O N Ki = 0.55 nM 500.6 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)C1=NCCO1 Homo sapiens CHEMBL677612 single protein format
CHEMBL50830 OBDepict CH 3 H 3 C O N S O O S N N N N Ki = 0.6 nM 429.53 CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Homo sapiens CHEMBL878397 single protein format
CHEMBL319723 OBDepict CH 3 O O O N S CH 3 O O S N N N N Ki = 0.6 nM 433.47 COc1cc(OC)c2c(c1)S(=O)(=O)N(CSc1nnnn1-c1ccccc1)C2=O Homo sapiens CHEMBL878397 single protein format
CHEMBL2205678 OBDepict O NH O H N O CH 3 H 3 C H N H O H O CH 3 H 3 C NH O Ki = 0.6 nM 502.61 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)C1NCCO1 Homo sapiens CHEMBL2208690 single protein format
CHEMBL166401 OBDepict CH 3 O O O N H H H 3 C H 3 C O H N O N H H H 3 C CH 3 O O Ki = 0.6 nM 489.57 COC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C Homo sapiens CHEMBL677612 single protein format