Target
1,4-dihydroxy-2-naphthoyl-CoA synthase
Ligand
BDBM50382345
Substrate
n/a
Meas. Tech.
ChEMBL_817596 (CHEMBL2027819)
IC50
>400000±n/a nM
Citation
 Li, XLiu, NZhang, HKnudson, SELi, HJLai, CTSimmerling, CSlayden, RATonge, 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:
BDBM50382345
Synonyms:
CHEMBL2024346
Type:
Small organic molecule
Emp. Form.:
C30H42Cl2N7O17P3S
Mol. Mass.:
968.583
SMILES:
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCCC(=O)c1ccc(Cl)cc1Cl |r|
Structure:
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