| Reaction Details |
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 | Report a problem with these data |
| Target | NH(3)-dependent NAD(+) synthetase |
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| Ligand | BDBM50266769 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_564355 (CHEMBL957657) |
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| IC50 | 86000±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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| BDBM50266769 |
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| n/a |
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| Name | BDBM50266769 |
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| Synonyms: | CHEMBL476794 | ethyl 2-(naphthalen-1-ylamino)-5-(4-nitrobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C24H18N2O5S |
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| Mol. Mass. | 446.475 |
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| SMILES | CCOC(=O)C1C(=O)C(SC1=Nc1cccc2ccccc12)=Cc1ccc(cc1)[N+]([O-])=O |w:22.25,11.12| |
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| Structure | 
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