Reaction Details Report a problem with these data
Target
Bifunctional ligase/repressor BirA
Ligand
BDBM50039492
Substrate
n/a
Meas. Tech.
ChEMBL_1475430 (CHEMBL3424423)
Ki
87±n/a nM
Citation
 Tieu, W; Polyak, SW; Paparella, AS; Yap, MY; Soares da Costa, TP; Ng, B; Wang, G; Lumb, R; Bell, JM; Turnidge, JD; Wilce, MC; Booker, GW; Abell, AD Improved Synthesis of Biotinol-5'-AMP: Implications for Antibacterial Discovery. ACS Med Chem Lett 6:216-20 (2015) [PubMed]  Article 
Target
Name:
Bifunctional ligase/repressor BirA
Synonyms:
BIRA_ECOLI | Biotin operon repressor | Biotin protein ligase (BPL) | Biotin--[acetyl-CoA-carboxylase] synthetase | BirA Bifunctional Protein | bioR | birA | dhbB
Type:
Repressor protein
Mol. Mass.:
35313.58
Organism:
Escherichia coli
Description:
n/a
Residue:
321
Sequence:
MKDNTVPLKLIALLANGEFHSGEQLGETLGMSRAAINKHIQTLRDWGVDVFTVPGKGYSLPEPIQLLNAKQILGQLDGGSVAVLPVIDSTNQYLLDRIGELKSGDACIAEYQQAGRGRRGRKWFSPFGANLYLSMFWRLEQGPAAAIGLSLVIGIVMAEVLRKLGADKVRVKWPNDLYLQDRKLAGILVELTGKTGDAAQIVIGAGINMAMRRVEESVVNQGWITLQEAGINLDRNTLAAMLIRELRAALELFEQEGLAPYLSRWEKLDNFINRPVKLIIGDKEIFGISRGIDKQGALLLEQDGIIKPWMGGEISLRSAEK
  
Inhibitor
Name:
BDBM50039492
Synonyms:
CHEMBL1231498
Type:
Small organic molecule
Emp. Form.:
C20H30N7O8PS
Mol. Mass.:
559.533
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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