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Target
3-oxoacyl-[acyl-carrier-protein] synthase 1 [C171Q]
Ligand
BDBM214777
Substrate
n/a
Meas. Tech.
Inhibition Kinetics Assay
pH
8.5±n/a
Ki
3.840e+5± 1.20e+4 nM
Comments
extracted
Citation
 Schiebel, J; Kapilashrami, K; Fekete, A; Bommineni, GR; Schaefer, CM; Mueller, MJ; Tonge, PJ; Kisker, C Structural basis for the recognition of mycolic acid precursors by KasA, a condensing enzyme and drug target from Mycobacterium tuberculosis. J Biol Chem 288:34190-204 (2013) [PubMed]  Article 
Target
Name:
3-oxoacyl-[acyl-carrier-protein] synthase 1 [C171Q]
Synonyms:
Beta-ketoacyl-ACP synthase I (C171Q KasA) | KASA_MYCTO | kasA
Type:
Enzyme
Mol. Mass.:
43330.56
Organism:
Mycobacterium tuberculosis
Description:
M. tuberculosis KasA C171Q mutant
Residue:
416
Sequence:
MSQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSAQSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY
  
Inhibitor
Name:
BDBM214777
Synonyms:
TLM18
Type:
Small organic molecule
Emp. Form.:
C14H19N3O2S
Mol. Mass.:
293.385
SMILES:
C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCN=[N+]=[N-])=C1O |r,c:17|
Structure:
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