Ki Summary

Reaction Details

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Target

3-oxoacyl-[acyl-carrier-protein] synthase 3

Ligand

BDBM50241313

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_330093 (CHEMBL863391)

IC50

4000±n/a nM

Citation

Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, 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 Chem49:159-71 (2006) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

3-oxoacyl-[acyl-carrier-protein] synthase 3

Name:

3-oxoacyl-[acyl-carrier-protein] synthase 3

Synonyms:

β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH) | 3-oxoacyl-[acyl-carrier-protein] synthase III | FABH_MYCTU | fabH

Type:

Enzyme

Mol. Mass.:

34865.07

Organism:

Mycobacterium tuberculosis

Description:

P9WNG3

Residue:

335

Sequence:

MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDES
AASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSA
GCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETP
FQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRR
AMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMA
ELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG

BDBM50241313

n/a

Name

BDBM50241313

Synonyms:

(5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2(5H)-one | (R)-(+)-Thiolactomycin | (R)-4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one | (R,E)-4-hydroxy-3,5-dimethyl-5-(2-methylbuta-1,3-dienyl)thiophen-2(5H)-one | 5R-Thiolactomycin | CHEMBL399043 | TLM analog, 1

Type

Small organic molecule

Emp. Form.

C11H14O2S

Mol. Mass.

210.293

SMILES

CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r|

Structure