Reaction Details Report a problem with these data
Target
Secreted chorismate mutase
Ligand
BDBM50240432
Substrate
n/a
Meas. Tech.
CM Assay
pH
7.5±0
Temperature
310.15±0 K
IC50
2.84e+4± 2.4e+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:
BDBM50240432
Synonyms:
1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropyl-5-methylphenol | 3-p-cymenol | 5-methyl-2-(propan-2-yl)phenol | 5-methyl-2-isopropylphenol | 6-isopropyl-3-methylphenol | 6-isopropyl-m-cresol | CHEMBL29411 | thymol
Type:
Small organic molecule
Emp. Form.:
C10H14O
Mol. Mass.:
150.2176
SMILES:
CC(C)c1ccc(C)cc1O
Structure:
Search PDB for entries with ligand similarity: