Reaction Details Report a problem with these data
Target
Secreted chorismate mutase
Ligand
BDBM50209969
Substrate
n/a
Meas. Tech.
ChEMBL_443914 (CHEMBL893079)
Ki
21100±n/a nM
Citation
 Agrawal, H; Kumar, A; Bal, NC; Siddiqi, MI; Arora, A Ligand based virtual screening and biological evaluation of inhibitors of chorismate mutase (Rv1885c) from Mycobacterium tuberculosis H37Rv. Bioorg Med Chem Lett 17:3053-8 (2007) [PubMed]  Article 
Target
Name:
Secreted chorismate mutase
Synonyms:
Chorismate mutase (CM) | Chorismate mutase (MTB CM) | Chorismate mutase-related protein | SCMU_MYCTU
Type:
Protein
Mol. Mass.:
21942.03
Organism:
Mycobacterium tuberculosis H37Rv
Description:
n/a
Residue:
199
Sequence:
MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA
  
Inhibitor
Name:
BDBM50209969
Synonyms:
2-(3-(tert-butoxycarbonyl)-2-phenylthiazolidine-4-carboxamido)-4-methylpentanoic acid | CHEMBL232622
Type:
Small organic molecule
Emp. Form.:
C21H30N2O5S
Mol. Mass.:
422.538
SMILES:
CC(C)CC(NC(=O)C1CSC(N1C(=O)OC(C)(C)C)c1ccccc1)C(O)=O |w:4.4,8.7,11.20|
Structure:
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