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Target
3-oxoacyl-[acyl-carrier-protein] synthase 1
Ligand
BDBM93046
Substrate
n/a
Meas. Tech.
Binding Fluorescence Titrations
pH
8.5±0
Kd
3.300e+5± 4.0e+3 nM
Citation
 Kapilashrami, K; Bommineni, GR; Machutta, CA; Kim, P; Lai, CT; Simmerling, C; Picart, F; Tonge, PJ Thiolactomycin-based ß-Ketoacyl-AcpM Synthase A (KasA) Inhibitors: FRAGMENT-BASED INHIBITOR DISCOVERY USING TRANSIENT ONE-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT NMR SPECTROSCOPY. J Biol Chem 288:6045-52 (2013) [PubMed]  Article 
Target
Name:
3-oxoacyl-[acyl-carrier-protein] synthase 1
Synonyms:
β-ketoacyl-ACP synthase I (KasA) | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | Beta-ketoacyl-ACP synthase (KasA) | KASA_MYCTU | kasA
Type:
Protein
Mol. Mass.:
43305.57
Organism:
Mycobacterium tuberculosis
Description:
P9WQD9
Residue:
416
Sequence:
MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY
  
Inhibitor
Name:
BDBM93046
Synonyms:
TLM analog, 3
Type:
Small molecule
Emp. Form.:
C12H16O2S
Mol. Mass.:
224.319
SMILES:
CCC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r|
Structure:
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