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Target1,4-Dihydroxy-2-naphthoyl-CoA synthase
LigandBDBM50382339
Substrate/Competitorn/a
Meas. Tech.ChEMBL_817596
IC50 103±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 Lett2:818-823 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
1,4-Dihydroxy-2-naphthoyl-CoA synthase
Name:1,4-Dihydroxy-2-naphthoyl-CoA synthase
Synonyms:DHNA-CoA synthase
Type:PROTEIN
Mol. Mass.:34688.06
Organism:Mycobacterium tuberculosis
Description:ChEMBL_817596
Residue:314
Sequence:
MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNA
FRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASG
DTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYAR
FKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELE
TVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFL
QKRPPDWSPFPRYF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50382339
NameBDBM50382339
Synonyms:CHEMBL2024338
TypeSmall organic molecule
Emp. Form.C31H43ClN7O19P3S
Mol. Mass.978.148
SMILESCC(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)NCCSC(CC(=O)c1ccccc1Cl)C(O)=O |r|
Structure
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