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Target
Bifunctional ligase/repressor BirA
Ligand
BDBM50039492
Substrate
n/a
Meas. Tech.
ChEMBL_1445410 (CHEMBL3379109)
Kd
1.5±n/a nM
Citation
 Sittiwong, W; Cordonier, EL; Zempleni, J; Dussault, PH ß-Keto andß-hydroxyphosphonate analogs of biotin-5'-AMP are inhibitors of holocarboxylase synthetase. Bioorg Med Chem Lett 24:5568-71 (2014) [PubMed]  Article 
Target
Name:
Bifunctional ligase/repressor BirA
Synonyms:
Biotin--[acetyl-CoA-carboxylase] synthetase | Biotin protein ligase (BPL) | Biotin operon repressor | BIRA_ECOLI | birA | bioR | dhbB | BirA Bifunctional Protein
Type:
Repressor protein
Mol. Mass.:
35313.58
Organism:
Escherichia coli (strain K12)
Description:
n/a
Residue:
321
Sequence:
MKDNTVPLKLIALLANGEFHSGEQLGETLGMSRAAINKHIQTLRDWGVDVFTVPGKGYSLPEPIQLLNAKQILGQLDGGSVAVLPVIDSTNQYLLDRIGELKSGDACIAEYQQAGRGRRGRKWFSPFGANLYLSMFWRLEQGPAAAIGLSLVIGIVMAEVLRKLGADKVRVKWPNDLYLQDRKLAGILVELTGKTGDAAQIVIGAGINMAMRRVEESVVNQGWITLQEAGINLDRNTLAAMLIRELRAALELFEQEGLAPYLSRWEKLDNFINRPVKLIIGDKEIFGISRGIDKQGALLLEQDGIIKPWMGGEISLRSAEK
  
Inhibitor
Name:
BDBM50039492
Synonyms:
CHEMBL1231498
Type:
Small organic molecule
Emp. Form.:
C20H30N7O8PS
Mol. Mass.:
559.16
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r|
Structure:
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