Reaction Details Report a problem with these data
Target
Secreted chorismate mutase
Ligand
BDBM50209967
Substrate
n/a
Meas. Tech.
ChEMBL_443914 (CHEMBL893079)
Ki
5700±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:
BDBM50209967
Synonyms:
4-[2-(3,4-dimethoxy-phenyl)-ethylamino]-3-nitro-5-sulfamoyl-benzoic acid | CHEMBL396982
Type:
Small organic molecule
Emp. Form.:
C17H19N3O8S
Mol. Mass.:
425.413
SMILES:
COc1ccc(CCNc2c(cc(cc2S(N)(=O)=O)C(O)=O)[N+]([O-])=O)cc1OC
Structure:
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