Reaction Details Report a problem with these data
Target
1,4-dihydroxy-2-naphthoyl-CoA synthase
Ligand
BDBM50382340
Substrate
n/a
Meas. Tech.
ChEMBL_817596 (CHEMBL2027819)
IC50
>120000±n/a nM
Citation
 Li, X; Liu, N; Zhang, H; Knudson, SE; Li, HJ; Lai, CT; Simmerling, C; Slayden, RA; Tonge, PJ CoA Adducts of 4-Oxo-4-Phenylbut-2-enoates: Inhibitors of MenB from the M. tuberculosis Menaquinone Biosynthesis Pathway. ACS Med Chem Lett 2:818-823 (2011) [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:
BDBM50382340
Synonyms:
CHEMBL2024258
Type:
Small organic molecule
Emp. Form.:
C19H21NO4
Mol. Mass.:
327.3743
SMILES:
COc1ccccc1C(=O)CC(N[C@@H](C)c1ccccc1)C(O)=O |r|
Structure:
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