Reaction Details Report a problem with these data
Target
NH(3)-dependent NAD(+) synthetase
Ligand
BDBM98163
Substrate
n/a
Meas. Tech.
NADs HPLC Enzyme Assay
pH
8.5±0
Temperature
277.15±0 K
IC50
24500±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:
BDBM98163
Synonyms:
1-[4-[[4-(aminomethyl)phenyl]sulfonylamino]phenyl]-3-(2-nitrophenyl)urea | Compound ID 8{3,20}
Type:
Small organic molecule
Emp. Form.:
C20H19N5O5S
Mol. Mass.:
441.46
SMILES:
NCc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2[N+]([O-])=O)cc1
Structure:
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