Reaction Details Report a problem with these data
Target
Secreted chorismate mutase
Ligand
BDBM50164168
Substrate
n/a
Meas. Tech.
CM Assay
pH
7.5±0
Temperature
310.15±0 K
IC50
2.858e+4± 1.7e+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:
BDBM50164168
Synonyms:
1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene | 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene | 1-Hydroxy-2-methoxy-4-propenylbenzene | 1-allyl-3-methoxy-4-hydroxybenzene | 1-allyl-4-hydroxy-3-methoxybenzene | 2-Hydroxy-5-allylanisole | 2-Methoxy-1-hydroxy-4-allylbenzene | 2-Methoxy-4-allylphenol | 2-Methoxy-4-prop-2-enylphenol | 2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol | 4-Allyl-1-hydroxy-2-methoxybenzene | 4-Allylcatechol-2-methyl ether | 4-Allylguaiacol | 4-Hydroxy-3-methoxy-1-allylbenzene | Allylguaiacol | CHEMBL42710 | Caryophyllic acid | Eugenic acid | Eugenol | p-Allylguaiacol | p-Eugenol
Type:
Small organic molecule
Emp. Form.:
C10H12O2
Mol. Mass.:
164.2011
SMILES:
COc1cc(CC=C)ccc1O
Structure:
Search PDB for entries with ligand similarity: