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Target
Pyruvate dehydrogenase E1 component subunit alpha,/beta, mitochondrial
Ligand
BDBM50486214
Substrate
n/a
Meas. Tech.
ChEMBL_894640 (CHEMBL3049710)
IC50
23120±n/a nM
Citation
 He, HW; Yuan, JL; Peng, H; Chen, T; Shen, P; Wan, SQ; Li, Y; Tan, HL; He, YH; He, JB; Li, Y Studies of O,O-dimethyl ?-(2,4-dichlorophenoxyacetoxy)ethylphosphonate (HW02) as a new herbicide. 1. Synthesis and herbicidal activity of HW02 and analogues as novel inhibitors of pyruvate dehydrogenase complex. J Agric Food Chem 59:4801-13 (2011) [PubMed]  Article
Target
Name:
Pyruvate dehydrogenase E1 component subunit alpha,/beta, mitochondrial
Synonyms:
Pyruvate dehydrogenase complex
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 894639
Components:
This complex has 2 components.
Component 1
Name:
Pyruvate dehydrogenase E1 component subunit alpha, mitochondrial
Synonyms:
1.2.4.1 | ODPA_PEA | PDHE1-A | Pyruvate dehydrogenase E1 component subunit alpha, mitochondrial
Type:
PROTEIN
Mol. Mass.:
43536.99
Organism:
Pisum sativum
Description:
ChEMBL_106715
Residue:
397
Sequence:
MALSRLSSSSSSSNGSNLFNPFSAAFTLNRPISSDTTATLTIETSLPFTAHNCDPPSRSVTTSPSELLSFFRTMALMRRMEIAADSLYKANLIRGFCHLYDGQEAVAVGMEAGTTKKDCIITAYRDHCTFLGRGGTLLRVYAELMGRRDGCSKGKGGSMHFYKKDSGFYGGHGIVGAQVPLGCGLAFGQKYLKDESVTFALYGDGAANQGQLFEALNISALWDLPAILVCENNHYGMGTATWRSAKSPAYFKRGDYVPGLKVDGMDALAVKQACKFAKEHALKNGPIILEMDTYRYHGHSMSDPGSTYRTRDEISGVRQERDPIERVRKLLLSHDIATEKELKDTEKEVRKEVDEAIAKAKDSPMPDPSDLFSNVYVKGYGVEAFGVDRKEVRVTLP
  
Component 2
Name:
Pyruvate dehydrogenase E1 component subunit beta, mitochondrial
Synonyms:
1.2.4.1 | ODPB_PEA | PDHE1-B | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial
Type:
PROTEIN
Mol. Mass.:
38791.52
Organism:
Pisum sativum
Description:
ChEMBL_106715
Residue:
359
Sequence:
MLGVIRNKTIRPSFSAFRFFSSAKQMTVRDALNSALDVEMSADSKVFLMGEEVGEYQGAYKVTKGLLEKYGPERVLDTPITEAGFTGIGVGAAYYGLKPVVEFMTFNFSMQAIDHIINSAAKSNYMSAGQISVPIVFRGLNGDAAGVGAQHSHCYASWYGSCPGLKVLVPHSAEDARGLLKAAIRDPDPVVFLENELLYGESFPVSAEVLDSSFWLPIGKAKIEREGKDVTITAFSKMVGFALKAAEILEKEGISAEVINLRSIRPLDRPTINASVRKTNRLVTVEEGFPQHGVGAEICTSVIEESFGYLDATVERIGGADVPMPYAGNLERLVVPHVEDIVRAAKRACHRSVPLAAAA
  
Inhibitor
Name:
BDBM50486214
Synonyms:
CHEMBL2227973
Type:
Small organic molecule
Emp. Form.:
C14H19Cl2O6P
Mol. Mass.:
385.177
SMILES:
CCOP(=O)(OCC)C(C)OC(=O)COc1ccc(Cl)cc1Cl
Structure:
Search PDB for entries with ligand similarity: