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Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
LigandBDBM265209
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1659258 (CHEMBL4008870)
KOFF 0.014000 s-1
Citation Brough, PABaker, LBedford, SBrown, KChavda, SChell, VD'Alessandro, JDavies, NGDavis, BLe Strat, LMacias, ATMaddox, DMahon, PCMassey, AJMatassova, NMcKenna, SMeissner, JWMoore, JDMurray, JBNorthfield, CJParry, CParsons, RRoughley, SDShaw, TSimmonite, HStokes, SSurgenor, AStefaniak, ERobertson, AWang, YWebb, PWhitehead, NWood, M Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J Med Chem60:2271-2286 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
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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  Blast E-value cutoff:
BDBM265209
n/a
NameBDBM265209
Synonyms:US10413550, Example 41j | US11234987, Example 41j | US9718793, 41j
TypeSmall organic molecule
Emp. Form.C24H26ClN3O5
Mol. Mass.471.933
SMILESCCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1C)-c1cc(Cl)c(O)cc1O |(3.1,-6.74,;2.33,-5.41,;3.1,-4.07,;2.33,-2.74,;3.1,-1.41,;.79,-2.74,;-.12,-3.99,;-1.58,-3.51,;-1.58,-1.97,;-.12,-1.49,;.28,-.01,;-.81,1.08,;-.41,2.57,;1.08,2.97,;1.48,4.46,;2.96,4.85,;4.05,3.77,;5.54,4.16,;5.94,5.65,;4.85,6.74,;3.36,6.34,;2.17,1.88,;1.77,.39,;2.86,-.7,;-2.67,-.88,;-2.27,.61,;-3.36,1.7,;-2.96,3.18,;-4.85,1.3,;-5.94,2.39,;-5.25,-.19,;-4.16,-1.28,;-4.56,-2.77,)|
Structure
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