Target
3-oxoacyl-[acyl-carrier-protein] synthase 1
Ligand
BDBM214777
Substrate
n/a
Meas. Tech.
Inhibition Kinetics Assay
pH
8.5±n/a
Kd
1.120e+5± 3.0e+3 nM
Comments
extracted
Citation
 Schiebel, JKapilashrami, KFekete, ABommineni, GRSchaefer, CMMueller, MJTonge, PJKisker, 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
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:
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:
Search PDB for entries with ligand similarity: