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P07288 | KLK3_HUMAN | Prostate-specific antigen (KLK3)

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
CHEMBL577821 OBDepict OH N H H NH O O H NH H N H O HO N O B H O H 2 N HO OH H 3 C CH 3 O Ki = 25.3 nM 546.39 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)N1CCOCC1)B(O)O Homo sapiens CHEMBL1048364 tissue-based format
CHEMBL573646 OBDepict OH HN H NH O O H N H H HN O OH O O B H O H 2 N HO OH CH 3 CH 3 Ki = 27.5 nM 567.41 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O Homo sapiens CHEMBL1048364 tissue-based format
CHEMBL573645 OBDepict H 2 N N H H N H O O B H NH H OH OH HO CH 3 H 3 C O HN H OH O O Ki = 48.4 nM 567.45 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O Homo sapiens CHEMBL1048364 tissue-based format
CHEMBL1082407 OBDepict H 3 C NH O F N S N CH 3 H 3 C O F F F N IC50 = 130.0 nM 464.44 CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F Homo sapiens CHEMBL4685677 cell-based format
CHEMBL2011751 OBDepict OH H O N H O O O O O O IC50 = 226.0 nM 565.58 O=C(OCc1ccccc1)c1cccc(OC(=O)N2C(=O)[C@@H](Cc3ccc(O)cc3)[C@H]2C(=O)OCc2ccccc2)c1 Homo sapiens CHEMBL2016158 single protein format
CHEMBL286934 OBDepict OH H O N H O O O O O IC50 = 226.0 nM 563.61 O=C(OCc1ccccc1)c1cccc(CC(=O)N2C(=O)[C@@H](Cc3ccc(O)cc3)[C@H]2C(=O)OCc2ccccc2)c1 Homo sapiens CHEMBL2383462 single protein format
CHEMBL2171878 OBDepict _ O + N O H 3 C N O O Ki = 300.0 nM 282.26 Cc1c(-c2nc3ccccc3c(=O)o2)cccc1[N+](=O)[O-] Homo sapiens CHEMBL2172814 single protein format
CHEMBL4760141 OBDepict Br NH IC50 = 430.0 nM 376.3 Brc1ccc(C2Nc3ccc4ccccc4c3C3C=CCC32)cc1 Homo sapiens CHEMBL4685677 cell-based format
CHEMBL2171879 OBDepict CH 3 O O H 3 C N O N CH 3 N N Ki = 500.0 nM 324.34 COc1ccc(C(=O)n2nc(-c3cccnc3)nc2C)cc1OC Homo sapiens CHEMBL2172814 single protein format