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Target
NH(3)-dependent NAD(+) synthetase
Ligand
BDBM50266738
Substrate
n/a
Meas. Tech.
ChEMBL_564355 (CHEMBL957657)
IC50
70000±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:
BDBM50266738
Synonyms:
1,1'-(1,3-phenylenebis(methylene))bis(3-(4-methoxyphenethyl)urea) | CHEMBL475956
Type:
Small organic molecule
Emp. Form.:
C28H34N4O4
Mol. Mass.:
490.594
SMILES:
COc1ccc(CCNC(=O)NCc2cccc(CNC(=O)NCCc3ccc(OC)cc3)c2)cc1
Structure:
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