Reaction Details Report a problem with these data
Target
Bifunctional ligase/repressor BirA
Ligand
BDBM161472
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
8±n/a
Temperature
310.15±n/a K
Ki
420±n/a nM
Comments
extracted
Citation
 Abell, A; Polyak, S; Booker, G; Wallace, J; Soares da Costa, T; Jarrad, A; Tieu, W; Keeling, KL; Pedersen, DS; Pendini, N; Wilce, M; Yap, MY Antimicrobial compounds US Patent  US9108978 Publication Date 8/18/2015 
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:
BDBM161472
Synonyms:
US9108978, 2.02
Type:
Small organic molecule
Emp. Form.:
C20H29N7O8PS
Mol. Mass.:
558.526
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: