Reaction Details Report a problem with these data
Target
NH(3)-dependent NAD(+) synthetase
Ligand
BDBM50266764
Substrate
n/a
Meas. Tech.
NADs HPLC Enzyme Assay
pH
8.5±0
Temperature
277.15±0 K
IC50
6400±0.0 nM
Citation
 Moro, WB; Yang, Z; Kane, TA; Zhou, Q; Harville, S; Brouillette, CG; Brouillette, WJ SAR studies for a new class of antibacterial NAD biosynthesis inhibitors. J Comb Chem 11:617-25 (2009) [PubMed]  Article 
Target
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:
MTLQEQIMKALHVQPVIDPKAEIRKRVDFLKDYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVEEIRNEGGNATFIAVRLPYKVQKDEDDAQLALQFIQADQSVAFDIASTVDAFSNQYENLLDESLTDFNKGNVKARIRMVTQYAIGGQKGLLVIGTDHAAEAVTGFFTKFGDGGADLLPLTGLTKRQGRALLQELGADERLYLKMPTADLLDEKPGQADETELGITYDQLDDYLEGKTVPADVAEKIEKRYTVSEHKRQVPASMFDDWWK
  
Inhibitor
Name:
BDBM50266764
Synonyms:
CHEMBL475957 | Compound ID 5824 | N-(3,4-dichlorophenyl)-4-(3-(4-nitrophenyl)ureido)benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C19H14Cl2N4O5S
Mol. Mass.:
481.309
SMILES:
[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Structure:
Search PDB for entries with ligand similarity: