Target
3-oxoacyl-[acyl-carrier-protein] synthase 2
Ligand
BDBM50180124
Substrate
n/a
Meas. Tech.
ChEMBL_330092 (CHEMBL863390)
IC50
>1000000±n/a nM
Citation
 Kim, PZhang, YMShenoy, GNguyen, QABoshoff, HIManjunatha, UHGoodwin, MBLonsdale, JPrice, ACMiller, DJDuncan, KWhite, SWRock, COBarry, CEDowd, 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 Chem 49:159-71 (2006) [PubMed]  Article 
Target
Name:
3-oxoacyl-[acyl-carrier-protein] synthase 2
Synonyms:
KASB_MYCTU | kasB
Type:
PROTEIN
Mol. Mass.:
44268.74
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_330092
Residue:
417
Sequence:
MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY
  
Inhibitor
Name:
BDBM50180124
Synonyms:
3,5-dimethyl-4-hydroxy-5-(2-methoxybenzyl)-5H-thiophen-2-one | CHEMBL199810
Type:
Small organic molecule
Emp. Form.:
C14H16O3S
Mol. Mass.:
264.34
SMILES:
COc1ccccc1CC1(C)SC(=O)C(C)C1=O
Structure:
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