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Q15120 | PDK3_HUMAN | "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial" (PDK3)

3D structures mapped by conservation among orthologs

[ Domain: "ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase" // HATPase_c ]

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[ Domain: "alpha-ketoacid dehydrogenase kinase-N" // BCDHK_Adom3 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4519504 OBDepict I O N O OH HO N O H 3 C CH 3 IC50 = 5.0 nM 506.3 CN(C)C(=O)c1ccc(N(Cc2ccc(I)o2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL3727577 OBDepict O HN F F N O OH HO N CH 3 Cl N IC50 = 40.0 nM 552.97 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4008878 single protein format
CHEMBL4575355 OBDepict Br O N O OH HO N O H 3 C CH 3 IC50 = 59.0 nM 459.3 CN(C)C(=O)c1ccc(N(Cc2ccc(Br)o2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4461160 OBDepict HO OH N O N S Br N O H 3 C CH 3 IC50 = 64.0 nM 476.35 CN(C)C(=O)c1ccc(N(Cc2ncc(Br)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4570690 OBDepict HO OH N O O N O H 3 C CH 3 IC50 = 67.0 nM 380.4 CN(C)C(=O)c1ccc(N(Cc2ccco2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4591977 OBDepict Br S N O OH HO N O H 3 C CH 3 IC50 = 80.0 nM 475.36 CN(C)C(=O)c1ccc(N(Cc2cc(Br)cs2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4551410 OBDepict Br S N O OH HO N O H 3 C CH 3 IC50 = 90.0 nM 475.36 CN(C)C(=O)c1ccc(N(Cc2ccc(Br)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4452536 OBDepict HO OH N O S N Br N O H 3 C CH 3 IC50 = 90.0 nM 476.35 CN(C)C(=O)c1ccc(N(Cc2cnc(Br)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4513465 OBDepict N S N O OH HO N O H 3 C CH 3 IC50 = 98.0 nM 421.48 CN(C)C(=O)c1ccc(N(Cc2ccc(C#N)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4540811 OBDepict HO N O HO OH N O CH 3 H 3 C IC50 = 136.0 nM 406.44 CN(C)C(=O)c1ccc(N(Cc2ccc(O)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4434941 OBDepict OH N O N O F CH 3 CH 3 IC50 = 142.0 nM 392.43 CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4587341 OBDepict Cl O N O OH HO N O H 3 C CH 3 IC50 = 181.0 nM 414.85 CN(C)C(=O)c1ccc(N(Cc2ccc(Cl)o2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4558944 OBDepict F N O HO OH N O CH 3 H 3 C IC50 = 186.0 nM 408.43 CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4558837 OBDepict CH 3 O N O OH HO N O H 3 C CH 3 IC50 = 255.0 nM 394.43 Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(C(=O)N(C)C)cc2)o1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4561336 OBDepict N N O HO OH N O CH 3 H 3 C IC50 = 461.0 nM 415.45 CN(C)C(=O)c1ccc(N(Cc2ccc(C#N)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format
CHEMBL4061698 OBDepict CH 3 O N CH 3 O OH HO Ki = 550.0 nM 273.29 COc1ccc(N(C)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4008868 single protein format
CHEMBL4579724 OBDepict OH HO N O N O CH 3 CH 3 IC50 = 858.0 nM 396.49 CN(C)C(=O)c1ccc(N(CC2CCCCC2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403264 single protein format