Reaction Details |
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Target | 1,4-dihydroxy-2-naphthoyl-CoA synthase |
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Ligand | BDBM50382351 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_817596 (CHEMBL2027819) |
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IC50 | 135±n/a nM |
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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 Lett2:818-823 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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1,4-dihydroxy-2-naphthoyl-CoA synthase |
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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: | MVAPAGEQGRSSTALSDNPFDAKAWRLVDGFDDLTDITYHRHVDDATVRVAFNRPEVRNA
FRPHTVDELYRVLDHARMSPDVGVVLLTGNGPSPKDGGWAFCSGGDQRIRGRSGYQYASG
DTADTVDVARAGRLHILEVQRLIRFMPKVVICLVNGWAAGGGHSLHVVCDLTLASREYAR
FKQTDADVGSFDGGYGSAYLARQVGQKFAREIFFLGRTYTAEQMHQMGAVNAVAEHAELE
TVGLQWAAEINAKSPQAQRMLKFAFNLLDDGLVGQQLFAGEATRLAYMTDEAVEGRDAFL
QKRPPDWSPFPRYF
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BDBM50382351 |
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n/a |
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Name | BDBM50382351 |
Synonyms: | CHEMBL2024339 |
Type | Small organic molecule |
Emp. Form. | C31H43BrN7O19P3S |
Mol. Mass. | 1022.599 |
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)NCCSC(CC(=O)c1ccccc1Br)C(O)=O |r| |
Structure |
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