Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Targetβ-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)
LigandBDBM50180121
Substrate/Competitorn/a
Meas. Tech.ChEMBL_330093
IC50>1000000±n/a nM
Citation Kim PZhang YMShenoy GNguyen QABoshoff HIManjunatha UHGoodwin MBLonsdale JPrice ACMiller DJDuncan KWhite SWRock COBarry CEDowd CS Structure-activity relationships at the 5-position of thiolactomycin: an intact (5R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli. J Med Chem 49:159-71 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)
Name:3-oxoacyl-[acyl-carrier-protein] synthase III
Synonyms:3-oxoacyl-[acyl-carrier-protein] synthase III
Type:Enzyme
Mol. Mass.:34865.07
Organism:Mycobacterium tuberculosis
Description:P9WNG3
Residue:335
Sequence:
MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDES
AASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSA
GCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETP
FQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRR
AMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMA
ELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50180121
n/a
NameBDBM50180121
Synonyms:3,5-dimethyl-5-(2-ethylhexyl)-4-hydroxy-5H-thiophen-2-one | CHEMBL201227
TypeSmall organic molecule
Emp. Form.C14H24O2S
Mol. Mass.256.404
SMILESCCCCC(CC)CC1(C)SC(=O)C(C)C1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: