| Reaction Details |
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 | Report a problem with these data |
| Target | NH(3)-dependent NAD(+) synthetase |
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| Ligand | BDBM50266766 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_564355 (CHEMBL957657) |
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| IC50 | 84000±n/a nM |
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| Citation |  Moro, WB; Yang, Z; Kane, TA; Brouillette, CG; Brouillette, WJ Virtual screening to identify lead inhibitors for bacterial NAD synthetase (NADs). Bioorg Med Chem Lett19:2001-5 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| NH(3)-dependent NAD(+) synthetase |
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| Name: | NH(3)-dependent NAD(+) synthetase |
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| Synonyms: | BAS1855 | BA_1998 | GBAA_1998 | NADE_BACAN | Nicotinamide adenine dinucleotide synthetase (NADs) | nadE |
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| Type: | Enzyme |
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| Mol. Mass.: | 30092.16 |
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| Organism: | Bacillus anthracis |
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| Description: | Q81RP3 |
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| Residue: | 272 |
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| Sequence: | MTLQEQIMKALHVQPVIDPKAEIRKRVDFLKDYVKKTGAKGFVLGISGGQDSTLAGRLAQ
LAVEEIRNEGGNATFIAVRLPYKVQKDEDDAQLALQFIQADQSVAFDIASTVDAFSNQYE
NLLDESLTDFNKGNVKARIRMVTQYAIGGQKGLLVIGTDHAAEAVTGFFTKFGDGGADLL
PLTGLTKRQGRALLQELGADERLYLKMPTADLLDEKPGQADETELGITYDQLDDYLEGKT
VPADVAEKIEKRYTVSEHKRQVPASMFDDWWK
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| BDBM50266766 |
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| n/a |
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| Name | BDBM50266766 |
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| Synonyms: | 2-(5-(5-chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)-1-(4-methyl-3,5-dinitrophenyl)ethanone | CHEMBL514827 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H16ClN3O6 |
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| Mol. Mass. | 465.843 |
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| SMILES | Cc1ccc(cc1CC(=O)c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)-c1nc2cc(Cl)ccc2o1 |
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| Structure | 
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