HOME LIGAND hPROTEOME OTHERS DOCUMENT

P30304 | MPIP1_HUMAN | M-phase inducer phosphatase 1 (CDC25A)

3D structures mapped by conservation among orthologs

[ Domain: "Rhodanese/Cell cycle control phosphatase" // Rhodanese ]

download pymol session



[ 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
CHEMBL429095 OBDepict OH S S O O HO IC50 = 22.0 nM 310.4 O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21 Homo sapiens CHEMBL1767947 single protein format
CHEMBL337173 OBDepict Cl HN O O N N O Ki = 29.0 nM 321.76 O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21 Homo sapiens CHEMBL1767947 single protein format
CHEMBL189010 OBDepict OH O S O O IC50 = 50.0 nM 248.26 O=C(O)CSC1=CC(=O)c2ccccc2C1=O Homo sapiens CHEMBL4314168 single protein format
CHEMBL1481974 OBDepict OH O O OH OH HO O Ki = 70.0 nM 316.27 O=C(O)CCc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 Homo sapiens CHEMBL2061095 assay format
CHEMBL9470 OBDepict CH 3 CH 3 OH H O O OH OH IC50 = 220.0 nM 288.3 CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O Homo sapiens CHEMBL4314168 single protein format
CHEMBL1765351 OBDepict H 3 C N CH 3 NH CH 3 O O N S H 3 C IC50 = 250.0 nM 279.37 CC1=C(NCCN(C)C)C(=O)c2nc(C)sc2C1=O Homo sapiens CHEMBL1767947 single protein format
CHEMBL1481974 OBDepict OH O O OH OH HO O IC50 = 330.0 nM 316.27 O=C(O)CCc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 Homo sapiens CHEMBL2061097 assay format
CHEMBL109990 OBDepict CH 3 H 3 C H 3 C H H H 3 C CH 3 OH H HO O O IC50 = 440.0 nM 406.61 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@](C)(C[C@H](O)C3=CC(=O)OC3O)CCC[C@@]21C Homo sapiens CHEMBL662884 single protein format
CHEMBL1765356 OBDepict CH 3 CH 3 H 3 C H H H 3 C H CH 3 OH H HO O O IC50 = 440.0 nM 406.61 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@](C)(C[C@H](O)C3=CC(=O)OC3O)CCC[C@@]21C Homo sapiens CHEMBL1767947 single protein format
CHEMBL111717 OBDepict CH 3 H 3 C H 3 C H H H 3 C CH 3 OH H HO O O IC50 = 480.0 nM 406.61 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@](C)(C[C@@H](O)C3=CC(=O)OC3O)CCC[C@@]21C Homo sapiens CHEMBL662884 single protein format
CHEMBL4521092 OBDepict CH 3 N N N N H Cl O O N IC50 = 530.0 nM 393.83 Cc1ccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)cc1 Homo sapiens CHEMBL4313754 single protein format
CHEMBL4566962 OBDepict N N N N N H Cl O O N IC50 = 540.0 nM 404.82 N#Cc1cccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)c1 Homo sapiens CHEMBL4313754 single protein format
CHEMBL4570006 OBDepict H 3 C O O N H Ki = 600.0 nM 291.35 CCOC(=O)c1ccccc1Nc1cccc2ccccc12 Homo sapiens CHEMBL4312903 cell-based format
CHEMBL4442406 OBDepict OH O N H H 2 N Ki = 600.0 nM 278.31 Nc1cccc2c(Nc3cccc(C(=O)O)c3)cccc12 Homo sapiens CHEMBL4312903 cell-based format
CHEMBL354794 OBDepict H 3 C CH 3 CH 3 H H CH 3 H H H CH 3 H H O O HO IC50 = 700.0 nM 446.72 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C Homo sapiens CHEMBL662888 single protein format
CHEMBL182645 OBDepict CH 3 CH 3 CH 3 H H CH 3 H 3 C O P O OH HO IC50 = 700.0 nM 374.5 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@](C)(COP(=O)(O)O)CCC[C@@]21C Homo sapiens CHEMBL832081 single protein format
CHEMBL295316 OBDepict CH 3 O O OH IC50 = 700.0 nM 188.18 CC1=CC(=O)c2c(O)cccc2C1=O Homo sapiens CHEMBL4314168 single protein format
CHEMBL337173 OBDepict Cl HN O O N N O IC50 = 790.0 nM 321.76 O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21 Homo sapiens CHEMBL2065477 single protein format
CHEMBL1765355 OBDepict H 3 C CH 2 CH 3 H CH 3 H H 3 C O H HO O O IC50 = 800.0 nM 400.56 C=C(C)CCC[C@]1(C)CCC[C@@H]2C1=CC[C@@H](C)[C@@]2(C)CC(=O)C1=CC(=O)O[C@H]1O Homo sapiens CHEMBL1767947 single protein format
CHEMBL459929 OBDepict Cl N S N N O CH 3 OH HO IC50 = 820.0 nM 451.94 Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL1003158 assay format
CHEMBL109588 OBDepict CH 3 H 3 C H 3 C H H H 3 C CH 3 OH H HO O O IC50 = 860.0 nM 406.61 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@](C)(C[C@@H](O)C3=CC(=O)OC3O)CCC[C@@]21C Homo sapiens CHEMBL662884 single protein format
CHEMBL110952 OBDepict CH 3 H 3 C H 3 C H H H 3 C CH 3 OH H HO O O IC50 = 890.0 nM 406.61 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@](C)(C[C@H](O)C3=CC(=O)OC3O)CCC[C@@]21C Homo sapiens CHEMBL662884 single protein format
CHEMBL432780 OBDepict CH 3 H 3 C H 3 C H H H 3 C CH 2 H OH IC50 = 890.0 nM 384.65 C=C1CC[C@H](O)C/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CCCC(C)C Homo sapiens CHEMBL662885 single protein format
CHEMBL354215 OBDepict H 3 C CH 3 CH 3 H H CH 3 H H H CH 3 H H O S S O HO IC50 = 900.0 nM 522.86 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=S)SCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C Homo sapiens CHEMBL662888 single protein format
CHEMBL179992 OBDepict CH 3 CH 3 CH 3 H H CH 3 H 3 C O P O OH HO IC50 = 900.0 nM 374.5 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@](C)(COP(=O)(O)O)CCC[C@@]21C Homo sapiens CHEMBL832081 single protein format
CHEMBL1165659 OBDepict OH S O N S O OH IC50 = 1000.0 nM 401.51 O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL1767947 single protein format
CHEMBL87872 OBDepict CH 3 N CH 3 H 3 C H OH O OH O IC50 = 1000.0 nM 391.47 CC(C)=CCC/C(C)=C/Cc1cccc2c(C3=C(O)C(O)=CC(=O)C3=O)c[nH]c12 Homo sapiens CHEMBL662886 single protein format
CHEMBL87763 OBDepict OH HO O O N H CH 3 IC50 = 1000.0 nM 359.38 Cc1ccccc1Cc1cccc2c(C3=C(O)C(O)=CC(=O)C3=O)c[nH]c12 Homo sapiens CHEMBL662886 single protein format