Target
1,4-dihydroxy-2-naphthoyl-CoA synthase
Ligand
BDBM50329082
Substrate
n/a
Meas. Tech.
ChEMBL_674193 (CHEMBL1274290)
IC50
24100±n/a nM
Citation
 Li, XLiu, NZhang, HKnudson, SESlayden, RATonge, 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:
BDBM50329082
Synonyms:
(Z)-methyl 2-(5-methyl-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate | CHEMBL1269381
Type:
Small organic molecule
Emp. Form.:
C12H11NO4
Mol. Mass.:
233.22
SMILES:
COC(=O)Cc1nc2c(C)cccc2oc1=O
Structure:
Search PDB for entries with ligand similarity: