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Target
1,4-dihydroxy-2-naphthoyl-CoA synthase
Ligand
BDBM50329087
Substrate
n/a
Meas. Tech.
ChEMBL_674193 (CHEMBL1274290)
IC50
17900±n/a nM
Citation
 Li, X; Liu, N; Zhang, H; Knudson, SE; Slayden, RA; Tonge, PJ Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorg Med Chem Lett 20:6306-9 (2010) [PubMed]  Article 
Target
Name:
1,4-dihydroxy-2-naphthoyl-CoA synthase
Synonyms:
DHNA-CoA synthase | MENB_MYCTU | menB
Type:
PROTEIN
Mol. Mass.:
34688.06
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_817596
Residue:
314
Sequence:
MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNAFRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASGDTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYARFKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELETVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFLQKRPPDWSPFPRYF
  
Inhibitor
Name:
BDBM50329087
Synonyms:
(Z)-methyl 2-(6-(ethylsulfonyl)-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate | CHEMBL1270877
Type:
Small organic molecule
Emp. Form.:
C13H13NO6S
Mol. Mass.:
311.31
SMILES:
CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)OC)nc2c1
Structure:
Search PDB for entries with ligand similarity: