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Target
3-oxoacyl-[acyl-carrier-protein] synthase 2
Ligand
BDBM50180137
Substrate
n/a
Meas. Tech.
ChEMBL_330092 (CHEMBL863390)
IC50
>1000000±n/a nM
Citation
 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, 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:
BDBM50180137
Synonyms:
3,5-dimethyl-4-hydroxy-5-oct-7-enyl-5H-thiophen-2-one | CHEMBL383537
Type:
Small organic molecule
Emp. Form.:
C14H22O2S
Mol. Mass.:
254.388
SMILES:
CC1C(=O)SC(C)(CCCCCCC=C)C1=O
Structure:
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