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Q9Y337 | KLK5_HUMAN | Kallikrein-5 (KLK5)

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
CHEMBL4535831 OBDepict NH 2 HN O N H N N H IC50 < 10.0 nM 397.48 N=C(N)c1ccc(NCc2nc(-c3ccccc3)c[nH]2)cc1OCc1ccccc1 Homo sapiens CHEMBL4388469 cell-based format
CHEMBL3775705 OBDepict CH 3 O O N H H O HO H N H H O O CH 3 CH 3 H 3 C IC50 = 112.0 nM 470.57 COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Homo sapiens CHEMBL3776074 single protein format
CHEMBL3775377 OBDepict H 3 C O O N H H H 3 C CH 3 O OH H NH H O O H 3 C H 3 C CH 3 IC50 = 115.0 nM 422.52 COC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C Homo sapiens CHEMBL3776074 single protein format
CHEMBL3775705 OBDepict CH 3 O O N H H O HO H N H H O O CH 3 CH 3 H 3 C Ki = 120.0 nM 470.57 COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Homo sapiens CHEMBL3776088 single protein format
CHEMBL3774934 OBDepict H 3 C O O H N O OH H N H H O O CH 3 CH 3 H 3 C IC50 = 122.0 nM 420.51 COC(=O)[C@@H]1CCCN1C(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Homo sapiens CHEMBL3776074 single protein format
CHEMBL3774934 OBDepict H 3 C O O H N O OH H N H H O O CH 3 CH 3 H 3 C Ki = 130.0 nM 420.51 COC(=O)[C@@H]1CCCN1C(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Homo sapiens CHEMBL3776088 single protein format
CHEMBL3775377 OBDepict H 3 C O O N H H H 3 C CH 3 O OH H NH H O O H 3 C H 3 C CH 3 Ki = 130.0 nM 422.52 COC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C Homo sapiens CHEMBL3776088 single protein format
CHEMBL4206734 OBDepict O O CH 3 N N H O H H 3 C N H 3 C N HN NH 2 IC50 = 130.0 nM 458.52 Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(C(=N)N)ccc12 Homo sapiens CHEMBL4201842 assay format
CHEMBL1580091 OBDepict CH 3 S N N N O Cl IC50 = 140.0 nM 329.81 CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccccc1 Homo sapiens CHEMBL2412650 single protein format
CHEMBL4575974 OBDepict H 3 C O O CH 3 N O O O CH 3 IC50 = 200.0 nM 327.34 CCOc1cc2c(=O)oc(-c3ccccc3OC)nc2cc1OC Homo sapiens CHEMBL4424185 single protein format
CHEMBL1413622 OBDepict CH 3 N O N NH 2 N N IC50 = 270.0 nM 279.3 Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1 Homo sapiens CHEMBL2412650 single protein format
CHEMBL3109164 OBDepict O N O H O O H O H O H H O Ki = 300.0 nM 467.52 O=C(O[C@@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)[C@H]1CCCN1C(=O)OCc1ccccc1 Homo sapiens CHEMBL3110698 assay format
CHEMBL3109166 OBDepict O O NH H O O O O H O H O H 3 C H 3 C CH 3 H H O Ki = 600.0 nM 541.6 CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12 Homo sapiens CHEMBL3110698 assay format
CHEMBL3109165 OBDepict O O HN HN H O O O O H O H O CH 3 H 3 C CH 3 H H O Ki = 700.0 nM 598.69 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12 Homo sapiens CHEMBL3110698 assay format
CHEMBL1580446 OBDepict CH 3 O N O N NH 2 N IC50 = 990.0 nM 218.22 COc1ccc(C(=O)n2cnnc2N)cc1 Homo sapiens CHEMBL2412650 single protein format