Reaction Details Report a problem with these data
Target
Secreted chorismate mutase
Ligand
BDBM50177405
Substrate
n/a
Meas. Tech.
CM Assay
pH
7.5±0
Temperature
310.15±0 K
IC50
2.48e+4± 2.2e+3 nM
Citation
 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Identification and structure-activity relationship study of carvacrol derivatives as Mycobacterium tuberculosis chorismate mutase inhibitors. J Enzyme Inhib Med Chem 29:547-54 (2014) [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:
BDBM50177405
Synonyms:
3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-methoxybenzaldehyde | 4-hydroxy-m-anisaldehyde | CHEMBL13883 | p-hydroxy-m-methoxybenzaldehyde | p-vanillin | vanillin
Type:
Small organic molecule
Emp. Form.:
C8H8O3
Mol. Mass.:
152.1473
SMILES:
COc1cc(C=O)ccc1O
Structure:
Search PDB for entries with ligand similarity: