Reaction Details Report a problem with these data
Target
Biotin--[biotin carboxyl-carrier protein] ligase
Ligand
BDBM50445153
Substrate
n/a
Meas. Tech.
ChEMBL_1284455 (CHEMBL3106343)
Kd
11±n/a nM
Citation
 Shi, C; Tiwari, D; Wilson, DJ; Seiler, CL; Schnappinger, D; Aldrich, CC Bisubstrate Inhibitors of Biotin Protein Ligase in ACS Med Chem Lett 4:1213-7 (2013) [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:
BDBM50445153
Synonyms:
CHEMBL3103891
Type:
Small organic molecule
Emp. Form.:
C26H35N8O8S2
Mol. Mass.:
651.735
SMILES:
CC(C)(C)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](COS(=O)(=O)[N-]C(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[C@@H](O)[C@H]3O)c2n1 |r|
Structure:
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