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Target
NH(3)-dependent NAD(+) synthetase
Ligand
BDBM50266798
Substrate
n/a
Meas. Tech.
ChEMBL_564355 (CHEMBL957657)
IC50
78300±n/a nM
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 Lett 19:2001-5 (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:
BDBM50266798
Synonyms:
CHEMBL515932 | Compound ID 5833 | N-(2-hydroxy-4-nitrophenyl)-2-(4-morpholino-6-(phenylamino)-1,3,5-triazin-2-ylthio)acetamide
Type:
Small organic molecule
Emp. Form.:
C21H21N7O5S
Mol. Mass.:
483.5
SMILES:
Oc1cc(ccc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)[N+]([O-])=O
Structure:
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