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Target
NH(3)-dependent NAD(+) synthetase
Ligand
BDBM50266737
Substrate
n/a
Meas. Tech.
ChEMBL_564355 (CHEMBL957657)
IC50
65700±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:
BDBM50266737
Synonyms:
CHEMBL476430 | N,N'-(4,4'-methylenebis(4,1-phenylene))dibenzo[d][1,3]dioxole-5-carboxamide
Type:
Small organic molecule
Emp. Form.:
C29H22N2O6
Mol. Mass.:
494.4948
SMILES:
O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc4OCOc4c3)cc2)cc1)c1ccc2OCOc2c1
Structure:
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