Reaction Details Report a problem with these data
Target
1,4-dihydroxy-2-naphthoyl-CoA synthase
Ligand
BDBM50329089
Substrate
n/a
Meas. Tech.
ChEMBL_674193 (CHEMBL1274290)
IC50
30000±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:
BDBM50329089
Synonyms:
(Z)-methyl 2-(7-fluoro-2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-ylidene)acetate | CHEMBL1269430
Type:
Small organic molecule
Emp. Form.:
C11H8FNO4
Mol. Mass.:
237.1839
SMILES:
COC(=O)Cc1nc2ccc(F)cc2oc1=O
Structure:
Search PDB for entries with ligand similarity: