Reaction Details |
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Target | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
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Ligand | BDBM50237408 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1660037 (CHEMBL4009649) |
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IC50 | 247±n/a nM |
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Citation | Liu, Y; Xie, Z; Zhao, D; Zhu, J; Mao, F; Tang, S; Xu, H; Luo, C; Geng, M; Huang, M; Li, J Development of the First Generation of Disulfide-Based Subtype-Selective and Potent Covalent Pyruvate Dehydrogenase Kinase 1 (PDK1) Inhibitors. J Med Chem60:2227-2244 (2017) [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 1, mitochondrial |
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Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
Synonyms: | PDHK1 | PDK1 | PDK1_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 1 (PDK1) | Pyruvate dehydrogenase kinase isoform 1 |
Type: | Protein |
Mol. Mass.: | 49255.23 |
Organism: | Homo sapiens (Human) |
Description: | Q15118 |
Residue: | 436 |
Sequence: | MRLARLLRGAALAGPGPGLRAAGFSRSFSSDSGSSPASERGVPGQVDFYARFSPSPLSMK
QFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQE
LLDFKDKSAEDAKAIYDFTDTVIRIRNRHNDVIPTMAQGVIEYKESFGVDPVTSQNVQYF
LDRFYMSRISIRMLLNQHSLLFGGKGKGSPSHRKHIGSINPNCNVLEVIKDGYENARRLC
DLYYINSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHANRGVYPP
IQVHVTLGNEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLP
ISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTDSIERLPVYNKAAWKHYNTNHEADDW
CVPSREPKDMTTFRSA
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BDBM50237408 |
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n/a |
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Name | BDBM50237408 |
Synonyms: | CHEMBL4084147 |
Type | Small organic molecule |
Emp. Form. | C24H28N2O4S4 |
Mol. Mass. | 536.75 |
SMILES | S=C(SSC(=S)N1CCOC(COc2ccccc2)C1)N1CCOC(COc2ccccc2)C1 |
Structure |
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