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Target
Biotin--[biotin carboxyl-carrier protein] ligase
Ligand
BDBM50119431
Substrate
n/a
Meas. Tech.
ChEMBL_1515555 (CHEMBL3615835)
Kd
0.933000±n/a nM
Citation
 Bockman, MR; Kalinda, AS; Petrelli, R; De la Mora-Rey, T; Tiwari, D; Liu, F; Dawadi, S; Nandakumar, M; Rhee, KY; Schnappinger, D; Finzel, BC; Aldrich, CC Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J Med Chem 58:7349-69 (2015) [PubMed]  Article 
Target
Name:
Biotin--[biotin carboxyl-carrier protein] ligase
Synonyms:
BirA bifunctional protein | birA
Type:
PROTEIN
Mol. Mass.:
28120.21
Organism:
Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Description:
ChEMBL_107988
Residue:
266
Sequence:
MTDRDRLRPPLDERSLRDQLIGAGSGWRQLDVVAQTGSTNADLLARAASGADIDGVVLIAEHQTAGRGRHGRGWAATARAQIILSVGVRVVDVPVQAWGWLSLAAGLAVLDSVAPLIAVPPAETGLKWPNDVLARGGKLAGILAEVAQPFVVLGVGLNVTQAPEEVDPDATSLLDLGVAAPDRNRIASRLLRELEARIIQWRNANPQLAADYRARSLTIGSRVRVELPGGQDVVGIARDIDDQGRLCLDVGGRTVVVSAGDVVHLR
  
Inhibitor
Name:
BDBM50119431
Synonyms:
CHEMBL3613831
Type:
Small organic molecule
Emp. Form.:
C26H43N13O6S2
Mol. Mass.:
697.833
SMILES:
CC[NH+](CC)CC.[H][C@]12CS[C@@H](CCCCC(=O)[N-]S(=O)(=O)NC[C@H]3O[C@H]([C@H](N=[N+]=[N-])[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 |r|
Structure:
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