Reaction Details Report a problem with these data
Target
Secreted chorismate mutase
Ligand
BDBM50209966
Substrate
n/a
Meas. Tech.
ChEMBL_443914 (CHEMBL893079)
Ki
28800±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:
BDBM50209966
Synonyms:
CHEMBL242816 | methyl 4-(methylamino)-3-nitrobenzoate
Type:
Small organic molecule
Emp. Form.:
C9H10N2O4
Mol. Mass.:
210.1867
SMILES:
CNc1ccc(cc1[N+]([O-])=O)C(=O)OC
Structure:
Search PDB for entries with ligand similarity: