Reaction Details |
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Target | NH(3)-dependent NAD(+) synthetase |
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Ligand | BDBM50278299 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_564355 (CHEMBL957657) |
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IC50 | 97000±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 |
Synonyms: | BAS1855 | BA_1998 | GBAA_1998 | NADE_BACAN | Nicotinamide adenine dinucleotide synthetase (NADs) | nadE |
Type: | Enzyme |
Mol. Mass.: | 30092.16 |
Organism: | Bacillus anthracis |
Description: | Q81RP3 |
Residue: | 272 |
Sequence: | MTLQEQIMKALHVQPVIDPKAEIRKRVDFLKDYVKKTGAKGFVLGISGGQDSTLAGRLAQ
LAVEEIRNEGGNATFIAVRLPYKVQKDEDDAQLALQFIQADQSVAFDIASTVDAFSNQYE
NLLDESLTDFNKGNVKARIRMVTQYAIGGQKGLLVIGTDHAAEAVTGFFTKFGDGGADLL
PLTGLTKRQGRALLQELGADERLYLKMPTADLLDEKPGQADETELGITYDQLDDYLEGKT
VPADVAEKIEKRYTVSEHKRQVPASMFDDWWK
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BDBM50278299 |
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n/a |
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Name | BDBM50278299 |
Synonyms: | 1-(6-(7-chloroquinazolin-4-yloxy)pyridin-3-yl)-3-(3-(cyclopentyloxy)-4-methoxyphenyl)urea | CHEMBL471230 |
Type | Small organic molecule |
Emp. Form. | C26H24ClN5O4 |
Mol. Mass. | 505.953 |
SMILES | COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1 |
Structure |
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