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Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM68275
Substrate
n/a
Meas. Tech.
FabH Enzyme Assay
pH
7±0
Temperature
310.15±0 K
IC50
>3.00e+5±n/a nM
Citation
 Alhamadsheh, MM; Musayev, F; Komissarov, AA; Sachdeva, S; Wright, HT; Scarsdale, N; Florova, G; Reynolds, KA Alkyl-CoA disulfides as inhibitors and mechanistic probes for FabH enzymes. Chem Biol 14:513-24 (2007) [PubMed]  Article 
Target
Name:
3-oxoacyl-[acyl-carrier-protein] synthase 3
Synonyms:
3-oxoacyl-[acyl-carrier-protein] synthase | 3-oxoacyl-[acyl-carrier-protein] synthase III | Beta-ketoacyl-ACP synthase III (FabH) | FABH_MYCTO | fabH
Type:
Enzyme
Mol. Mass.:
34865.07
Organism:
Mycobacterium tuberculosis
Description:
P9WNG2
Residue:
335
Sequence:
MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG
  
Inhibitor
Name:
BDBM68275
Synonyms:
Methyl-CoA disulfide 1
Type:
Small organic molecule
Emp. Form.:
C21H36N7O16P3S2
Mol. Mass.:
799.599
SMILES:
CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
Structure:
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