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P06870 | KLK1_HUMAN | Kallikrein-1 (KLK1)

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
CHEMBL3809352 OBDepict O O NH H CH 3 HN O N H NH 2 N Ki = 4.0 nM 481.56 C[C@@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2 Homo sapiens CHEMBL3811623 single protein format
CHEMBL3808853 OBDepict O O NH CH 3 HN O N H NH 2 N Ki = 6.0 nM 481.56 CC1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2 Homo sapiens CHEMBL3811623 single protein format
CHEMBL3934882 OBDepict O O HN H CH 3 CH 3 N CH 3 O H N H F NH 2 N Ki = 15.0 nM 567.67 Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1 Homo sapiens CHEMBL3855499 single protein format
CHEMBL3594305 OBDepict O HN N H O H N H NH 2 N Ki = 18.0 nM 465.56 Nc1nccc2cc(N[C@H]3C(=O)NCc4cccc(c4)NC(=O)CCCc4ccc3cc4)ccc12 Homo sapiens CHEMBL3595074 single protein format
CHEMBL321319 OBDepict CH 3 S O O O N H O NH H 2 N Ki = 19.0 nM 447.52 CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1 Homo sapiens CHEMBL751611 single protein format
CHEMBL3907376 OBDepict O O NH H CH 3 H 3 C N H 3 C O H N H H 2 N N Ki = 21.0 nM 509.61 Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cccc(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1 Homo sapiens CHEMBL3854659 single protein format
CHEMBL3594312 OBDepict O HN S N H O O CH 3 CH 3 H 3 C O N H NH 2 N Ki = 22.0 nM 585.73 CC(C)(C)S(=O)(=O)c1ccc2cc1CNC(=O)C(Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2 Homo sapiens CHEMBL3595074 single protein format
CHEMBL3808399 OBDepict O O NH H CH 3 HN O N H NH 2 N Ki = 25.0 nM 481.56 C[C@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2 Homo sapiens CHEMBL3811623 single protein format
CHEMBL3809909 OBDepict O O HN H 3 C CH 3 NH O H N H NH 2 N Ki = 25.0 nM 495.58 CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2 Homo sapiens CHEMBL3811623 single protein format
CHEMBL3809344 OBDepict O O HN H 3 C CH 3 NH O H N H NH 2 N Ki = 31.0 nM 495.58 CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2 Homo sapiens CHEMBL3811623 single protein format
CHEMBL3935309 OBDepict O O NH H CH 3 H 3 C O N H 3 C F F F O H N H H 2 N N Ki = 34.0 nM 593.61 Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(OC(F)(F)F)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1 Homo sapiens CHEMBL3854659 single protein format
CHEMBL3809472 OBDepict O O HN N H O N H NH 2 N Ki = 35.0 nM 467.53 Nc1nccc2cc(NC3C(=O)NCc4cccc(c4)NC(=O)OCCc4ccc3cc4)ccc12 Homo sapiens CHEMBL3811623 single protein format
CHEMBL3808801 OBDepict O O N H H 3 C H 3 C N CH 3 O H N H NH 2 N Ki = 36.0 nM 509.61 CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@@H](Nc2ccc3c(N)nccc3c2)C1=O Homo sapiens CHEMBL3811623 single protein format
CHEMBL104166 OBDepict H 2 N NH O N H N N NH NH 2 Ki = 40.0 nM 411.47 N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1 Homo sapiens CHEMBL751611 single protein format
CHEMBL362600 OBDepict NH 2 NH N H N N Ki = 42.0 nM 365.44 N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Nc3ncccn3)c2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL182959 OBDepict NH 2 NH HN N N Ki = 54.0 nM 379.47 N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(Nc3ncccn3)c2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL176140 OBDepict NH 2 N N NH O F F F F S O O CH 3 Ki = 61.0 nM 532.52 CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c(F)c1 Homo sapiens CHEMBL839520 single protein format
CHEMBL104211 OBDepict CH 3 S O N H O HN NH 2 Ki = 69.0 nM 415.52 CCSc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1 Homo sapiens CHEMBL751611 single protein format
CHEMBL320233 OBDepict CH 3 S O O O N H O NH NH 2 O Ki = 70.0 nM 531.63 CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(=N)N)cc23)co1 Homo sapiens CHEMBL751611 single protein format
CHEMBL360195 OBDepict NH 2 NH O Ki = 83.0 nM 338.41 N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(-c3ccoc3)c2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL3769636 OBDepict OH P N H O O O O O IC50 = 86.0 nM 489.46 O=C(NC(c1ccc(O)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1 Homo sapiens CHEMBL3772518 assay format
CHEMBL85154 OBDepict CH 3 S O O HO CH 2 N O H 3 C O OH O O NH NH 2 IC50 = 96.5 nM 517.56 C=CCN(CC(=O)O)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1.CS(=O)(=O)O Homo sapiens CHEMBL701593 single protein format
CHEMBL3594314 OBDepict H 3 C S O O HN N H O O H N H CH 3 H 2 N N Ki = 100.0 nM 571.7 CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)CCCC(=O)N2 Homo sapiens CHEMBL3595074 single protein format
CHEMBL3594310 OBDepict H 3 C S O O N H HN O O H NH NH 2 N Ki = 100.0 nM 557.68 CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2 Homo sapiens CHEMBL3595074 single protein format
CHEMBL3594311 OBDepict O N H S NH O O H 3 C H 3 C O H N H NH 2 N Ki = 100.0 nM 571.7 CC(C)S(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2 Homo sapiens CHEMBL3595074 single protein format
CHEMBL104505 OBDepict O N H HN N N HN NH 2 Ki = 100.0 nM 382.43 N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Nc3ncccn3)c2c1 Homo sapiens CHEMBL751611 single protein format
CHEMBL2171750 OBDepict HO NH H N H O O H N H H O NH 2 O N H NH NH 2 H 2 N Ki = 110.0 nM 546.67 N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1CCC(N)CC1)NC(=O)Cc1ccccc1)C(N)=O Homo sapiens CHEMBL2172818 single protein format
CHEMBL3809993 OBDepict O O N H H 3 C H 3 C N CH 3 O H N H NH 2 N Ki = 154.0 nM 509.61 CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@H](Nc2ccc3c(N)nccc3c2)C1=O Homo sapiens CHEMBL3811623 single protein format
CHEMBL181595 OBDepict NH 2 NH N H N N Ki = 156.0 nM 367.46 N=C(N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL3949564 OBDepict H 3 C O H 2 N H N H O H HN O NH 2 IC50 = 160.0 nM 474.61 CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 Homo sapiens CHEMBL3887813 single protein format
CHEMBL85136 OBDepict CH 3 S O O HO CH 2 N O H 3 C O O H 3 C O O NH NH 2 IC50 = 190.0 nM 545.61 C=CCN(CC(=O)OCC)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1.CS(=O)(=O)O Homo sapiens CHEMBL701593 single protein format
CHEMBL3951940 OBDepict O O HN H CH 3 CH 3 N N CH 3 H 3 C N O H N H NH 2 N Ki = 200.0 nM 589.7 Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(-c3ccnn3C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1 Homo sapiens CHEMBL3854659 single protein format
CHEMBL182303 OBDepict H 2 N NH N Ki = 206.0 nM 421.59 N=C(N)c1ccc2cc(C3CC3c3ccc4c(c3)C(C3CCCCC3)=NCC4)ccc2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL1184949 OBDepict NH 2 HN HN P N H O O O O O IC50 = 240.0 nM 530.52 N=C(N)Nc1ccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 Homo sapiens CHEMBL3772518 assay format
CHEMBL297835 OBDepict O NH O S O O NH 2 HN NH 2 IC50 = 250.0 nM 486.55 N=C(N)c1cccc(Oc2ccccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 Homo sapiens CHEMBL701763 single protein format
CHEMBL3942944 OBDepict CH 3 O O N NH H 3 C O O O H N H H H 3 C H 3 C H 2 N N Ki = 260.0 nM 567.65 COC(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2 Homo sapiens CHEMBL3854659 single protein format
CHEMBL319047 OBDepict O NH O NH NH 2 Ki = 270.0 nM 355.4 N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccoc3)c2c1 Homo sapiens CHEMBL751611 single protein format
CHEMBL182547 OBDepict CH 3 N NH NH 2 Ki = 295.0 nM 437.63 CN1CCc2ccc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)cc2C1C1CCCCC1 Homo sapiens CHEMBL839521 single protein format
CHEMBL421214 OBDepict CH 3 O CH 3 HN O O NH H 2 N Ki = 300.0 nM 417.51 CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(C(=N)N)ccc3c2)c1 Homo sapiens CHEMBL751611 single protein format
CHEMBL182460 OBDepict H 2 N NH N Ki = 336.0 nM 415.54 N=C(N)c1ccc2cc(C3CC3c3ccc4c(c3)C(c3ccccc3)=NCC4)ccc2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL181599 OBDepict NH 2 NH Br Ki = 379.0 nM 365.27 N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(Br)c2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL105395 OBDepict O HN O HN NH 2 Ki = 400.0 nM 359.43 N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(C3CCOC3)c2c1 Homo sapiens CHEMBL751611 single protein format
CHEMBL179941 OBDepict H 2 N NH N H 3 C CH 3 Ki = 525.0 nM 381.52 CC(C)C1=NCCc2ccc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)cc21 Homo sapiens CHEMBL839521 single protein format
CHEMBL185515 OBDepict NH 2 NH N H 3 C CH 3 H 3 C Ki = 576.0 nM 397.57 CC(C)C1c2cc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C Homo sapiens CHEMBL839521 single protein format
CHEMBL3926417 OBDepict O O NH H CH 3 H 3 C N O NH 2 H 3 C O H N H H 2 N N Ki = 580.0 nM 552.64 Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C(N)=O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1 Homo sapiens CHEMBL3854659 single protein format
CHEMBL1201881 OBDepict CH 3 S O O HO O O N H HN N HN NH 2 Ki = 610.0 nM 469.52 CS(=O)(=O)O.N=C(N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 Homo sapiens CHEMBL757200 single protein format
CHEMBL183021 OBDepict NH 2 NH H N CH 3 CH 3 Ki = 640.0 nM 381.52 CC(C)C1=NCCc2ccc([C@H]3CC3c3ccc4cc(C(=N)N)ccc4c3)cc21 Homo sapiens CHEMBL839521 single protein format
CHEMBL3930523 OBDepict O O NH H CH 3 H 3 C N N O H 3 C H 3 C H 3 C O H N H H 2 N N Ki = 650.0 nM 580.69 Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C(=O)N(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1 Homo sapiens CHEMBL3854659 single protein format
CHEMBL3398612 OBDepict NH 2 H H NH O H N N H Cl N H N NH 2 Ki = 650.0 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 CHEMBL3398781 single protein format
CHEMBL273264 OBDepict NH 2 HN NH O O NH H 2 N IC50 = 650.0 nM 347.38 N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 Homo sapiens CHEMBL703574 single protein format
CHEMBL360703 OBDepict NH 2 NH Br Ki = 770.0 nM 351.25 N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Br)c2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL239331 OBDepict NH 2 N H HN P NH O O O O O IC50 = 820.0 nM 496.5 N=C(N)NCCCC(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 Homo sapiens CHEMBL3772518 assay format
CHEMBL185345 OBDepict NH 2 NH Ki = 991.0 nM 272.35 N=C(N)c1ccc2cc(/C=C/c3ccccc3)ccc2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL182220 OBDepict O N H Br NH NH 2 Ki = 992.0 nM 368.23 N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Br)c2c1 Homo sapiens CHEMBL839521 single protein format
CHEMBL103043 OBDepict H 2 N NH N H N N Ki = 1000.0 nM 263.3 N=C(N)c1ccc2cccc(Nc3ncccn3)c2c1 Homo sapiens CHEMBL751611 single protein format