Reaction Details Report a problem with these data
Target
Bifunctional ligase/repressor BirA
Ligand
BDBM161467
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
8±n/a
Temperature
310.15±n/a K
Ki
>30000±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:
BDBM161467
Synonyms:
US9108978, 3.25
Type:
Small organic molecule
Emp. Form.:
C25H34N10O4S
Mol. Mass.:
570.667
SMILES:
CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12 |r|
Structure:
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