Reaction Details |
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Target | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
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Ligand | BDBM50571960 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2116049 (CHEMBL4824990) |
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IC50 | 8400±n/a nM |
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Citation | Akaki, T; Bessho, Y; Ito, T; Fujioka, S; Ubukata, M; Mori, G; Yamanaka, K; Orita, T; Doi, S; Iwanaga, T; Ikegashira, K; Hantani, Y; Nakanishi, I; Adachi, T Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg Med Chem44:0 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
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Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
Synonyms: | PDHK3 | PDK3 | PDK3_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 3 (PDK3) | Pyruvate dehydrogenase kinase isoform 3 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
Type: | Enzyme |
Mol. Mass.: | 46944.89 |
Organism: | Homo sapiens (Human) |
Description: | Q15120 |
Residue: | 406 |
Sequence: | MRLFRWLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANT
MREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPQVLDNFLQVLIKVRNRHN
DVVPTMAQGVIEYKEKFGFDPFISTNIQYFLDRFYTNRISFRMLINQHTLLFGGDTNPVH
PKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPDKPIQVVYVPSH
LFHMLFELFKNSMRATVELYEDRKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRL
FNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLKA
LSSESFERLPVFNKSAWRHYKTTPEADDWSNPSSEPRDASKYKAKQ
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BDBM50571960 |
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n/a |
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Name | BDBM50571960 |
Synonyms: | CHEMBL4848983 |
Type | Small organic molecule |
Emp. Form. | C11H14N2O |
Mol. Mass. | 190.2417 |
SMILES | CNc1cccc2c1NC(=O)C2(C)C |
Structure |
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