Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNH(3)-dependent NAD(+) synthetase
LigandBDBM50266736
Substrate/Competitorn/a
Meas. Tech.ChEMBL_564355 (CHEMBL957657)
IC50 61800±n/a nM
Citation Moro, WBYang, ZKane, TABrouillette, CGBrouillette, WJ Virtual screening to identify lead inhibitors for bacterial NAD synthetase (NADs). Bioorg Med Chem Lett19:2001-5 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
NH(3)-dependent NAD(+) synthetase
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50266736
n/a
NameBDBM50266736
Synonyms:CHEMBL476429 | N-(2-(5-bromo-2-chlorophenyl)benzo[d]oxazol-5-yl)-3-nitrobenzamide
TypeSmall organic molecule
Emp. Form.C20H11BrClN3O4
Mol. Mass.472.676
SMILES[O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: