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Q16654 | PDK4_HUMAN | "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial" (PDK4)

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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4591977 OBDepict Br S N O OH HO N O H 3 C CH 3 IC50 = 5.0 nM 475.36 CN(C)C(=O)c1ccc(N(Cc2cc(Br)cs2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4551410 OBDepict Br S N O OH HO N O H 3 C CH 3 IC50 = 8.0 nM 475.36 CN(C)C(=O)c1ccc(N(Cc2ccc(Br)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4519504 OBDepict I O N O OH HO N O H 3 C CH 3 IC50 = 11.0 nM 506.3 CN(C)C(=O)c1ccc(N(Cc2ccc(I)o2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4575355 OBDepict Br O N O OH HO N O H 3 C CH 3 IC50 = 13.0 nM 459.3 CN(C)C(=O)c1ccc(N(Cc2ccc(Br)o2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4461160 OBDepict HO OH N O N S Br N O H 3 C CH 3 IC50 = 20.0 nM 476.35 CN(C)C(=O)c1ccc(N(Cc2ncc(Br)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4540811 OBDepict HO N O HO OH N O CH 3 H 3 C IC50 = 34.0 nM 406.44 CN(C)C(=O)c1ccc(N(Cc2ccc(O)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4558944 OBDepict F N O HO OH N O CH 3 H 3 C IC50 = 52.0 nM 408.43 CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4558837 OBDepict CH 3 O N O OH HO N O H 3 C CH 3 IC50 = 52.0 nM 394.43 Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(C(=O)N(C)C)cc2)o1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL3729572 OBDepict OH HO N O N O CH 3 CH 3 IC50 = 66.0 nM 390.44 CN(C)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4570690 OBDepict HO OH N O O N O H 3 C CH 3 IC50 = 69.0 nM 380.4 CN(C)C(=O)c1ccc(N(Cc2ccco2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4587341 OBDepict Cl O N O OH HO N O H 3 C CH 3 IC50 = 82.0 nM 414.85 CN(C)C(=O)c1ccc(N(Cc2ccc(Cl)o2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4471264 OBDepict O O N N N H ClH IC50 = 84.0 nM 393.87 Cl.O=C1c2ccccc2C(=O)c2c1cccc2-c1cnn(C2CCNCC2)c1 Homo sapiens CHEMBL4333048 single protein format
CHEMBL4452536 OBDepict HO OH N O S N Br N O H 3 C CH 3 IC50 = 87.0 nM 476.35 CN(C)C(=O)c1ccc(N(Cc2cnc(Br)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4513465 OBDepict N S N O OH HO N O H 3 C CH 3 IC50 = 89.0 nM 421.48 CN(C)C(=O)c1ccc(N(Cc2ccc(C#N)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL3727577 OBDepict O HN F F N O OH HO N CH 3 Cl N IC50 = 91.0 nM 552.97 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4008879 single protein format
CHEMBL4539698 OBDepict HO OH N O N O + N CH 3 H 3 C O _ O IC50 = 99.0 nM 435.44 CN(C)C(=O)c1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4439097 OBDepict HO O N CH 3 N O HO F F F IC50 = 143.0 nM 416.36 CC(C(=O)O)n1cc(-c2cccc3c2C(=O)c2ccccc2C3(O)C(F)(F)F)cn1 Homo sapiens CHEMBL4333048 single protein format
CHEMBL4534284 OBDepict Cl N O HO OH N O CH 3 H 3 C IC50 = 169.0 nM 424.88 CN(C)C(=O)c1ccc(N(Cc2ccc(Cl)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4533214 OBDepict OH HO N O N O CH 3 CH 3 IC50 = 234.0 nM 440.5 CN(C)C(=O)c1ccc(N(Cc2ccc3ccccc3c2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4470843 OBDepict OH HO N O N O CH 3 CH 3 F F F IC50 = 273.0 nM 458.44 CN(C)C(=O)c1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4103350 OBDepict NH 2 O H 2 N H N O NH N S O O HO OH IC50 = 284.0 nM 503.58 NC(=O)C[C@H](N)C(=O)N1CCC(Nc2ccc3c(c2)CN(S(=O)(=O)c2ccc(O)cc2O)C3)CC1 Homo sapiens CHEMBL3998680 single protein format
CHEMBL4470078 OBDepict CH 3 NH O N O OH HO N O H 3 C CH 3 IC50 = 311.0 nM 447.49 CC(=O)Nc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(C(=O)N(C)C)cc2)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4434941 OBDepict OH N O N O F CH 3 CH 3 IC50 = 390.0 nM 392.43 CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4561336 OBDepict N N O HO OH N O CH 3 H 3 C IC50 = 399.0 nM 415.45 CN(C)C(=O)c1ccc(N(Cc2ccc(C#N)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4475200 OBDepict O N O CH 3 H 3 C CH 3 O O IC50 = 600.0 nM 389.45 CC(C)(C)OC(=O)N1CC=C(c2cccc3c2C(=O)c2ccccc2C3=O)CC1 Homo sapiens CHEMBL4333048 single protein format
CHEMBL4579724 OBDepict OH HO N O N O CH 3 CH 3 IC50 = 775.0 nM 396.49 CN(C)C(=O)c1ccc(N(CC2CCCCC2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403262 single protein format
CHEMBL4082531 OBDepict OH OH S N O O OH HO IC50 = 840.0 nM 323.33 O=S(=O)(c1ccc(O)cc1O)N1Cc2cc(O)cc(O)c2C1 Homo sapiens CHEMBL4008879 single protein format