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Q5VT25 | MRCKA_HUMAN | Serine/threonine-protein kinase MRCK alpha (CDC42BPA)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3218297 OBDepict CH 3 S O O HO O N H N H S N OH N IC50 = 2.87 nM 422.49 CS(=O)(=O)O.O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 Homo sapiens CHEMBL3224488 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 5.35 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328508 single protein format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 72.0 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479702 assay format
CHEMBL3221815 OBDepict HO O N H O N N H H O O CH 3 IC50 = 74.0 nM 423.47 COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCCO)CO2 Homo sapiens CHEMBL3226113 single protein format
CHEMBL481545 OBDepict CH 3 N CH 3 O N H O N N H O F IC50 = 79.0 nM 424.48 CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccc(F)cc2C1 Homo sapiens CHEMBL943653 single protein format
CHEMBL3221807 OBDepict H 3 C O O H N H O O N N N H 3 C CH 3 H IC50 = 127.0 nM 436.51 COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2 Homo sapiens CHEMBL3226113 single protein format
CHEMBL482336 OBDepict CH 3 O O N H O O N N N CH 3 CH 3 H IC50 = 150.0 nM 436.51 COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2 Homo sapiens CHEMBL943653 single protein format
CHEMBL474425 OBDepict CH 3 N CH 3 O N H O N N H O IC50 = 210.0 nM 406.49 CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2C1 Homo sapiens CHEMBL943653 single protein format
CHEMBL1080279 OBDepict H 3 C O N O N S N H 3 C CH 3 N N H IC50 = 247.0 nM 435.55 COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(-c4cn[nH]c4)cc3s2)c1 Homo sapiens CHEMBL1099848 single protein format
CHEMBL3221811 OBDepict CH 3 O O H HN O O H N N N H 3 C H IC50 = 261.0 nM 448.52 COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1O[C@@H]1CCN(C)C1)CO2 Homo sapiens CHEMBL3226113 single protein format
CHEMBL3221813 OBDepict CH 3 O O H HN O O H N N N H 3 C H IC50 = 294.0 nM 448.52 COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1O[C@H]1CCN(C)C1)CO2 Homo sapiens CHEMBL3226113 single protein format
CHEMBL1215524 OBDepict H 3 C N CH 3 O NH F O N N H HN H IC50 = 333.0 nM 423.49 CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 Homo sapiens CHEMBL1219256 single protein format
CHEMBL1215304 OBDepict H 3 C O N H H NH O O N N H N CH 3 IC50 = 669.0 nM 475.59 COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCN(C)CC1)NC2 Homo sapiens CHEMBL1219256 single protein format
CHEMBL1215526 OBDepict CH 3 N H N H O O F N N N H 3 C CH 3 H IC50 = 810.0 nM 451.55 CCN1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)c(-c2cn[nH]c2)cc1OCCN(C)C Homo sapiens CHEMBL1219256 single protein format
CHEMBL4552628 OBDepict Cl N N N H 3 C S N H O H H H 2 N F F IC50 = 1000.0 nM 425.89 Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(Cl)cnc12 Homo sapiens CHEMBL4479702 assay format