Reaction Details Report a problem with these data
Target
Secreted chorismate mutase
Ligand
BDBM50209968
Substrate
n/a
Meas. Tech.
ChEMBL_443914 (CHEMBL893079)
Ki
17710±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:
BDBM50209968
Synonyms:
(Z)-2-(4-chlorophenyl)-3-(4,5-dimethoxy-2-nitrophenyl)acrylic acid | CHEMBL232427
Type:
Small organic molecule
Emp. Form.:
C17H14ClNO6
Mol. Mass.:
363.749
SMILES:
COc1cc(\C=C(/C(O)=O)c2ccc(Cl)cc2)c(cc1OC)[N+]([O-])=O
Structure:
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