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Target
NH(3)-dependent NAD(+) synthetase
Ligand
BDBM50278416
Substrate
n/a
Meas. Tech.
ChEMBL_564355 (CHEMBL957657)
IC50
186000±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:
BDBM50278416
Synonyms:
2-(3-(3-nitrobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide | CHEMBL469773
Type:
Small organic molecule
Emp. Form.:
C17H16N4O4S2
Mol. Mass.:
404.463
SMILES:
NC(=O)c1c(NC(=S)NC(=O)c2cccc(c2)[N+]([O-])=O)sc2CCCCc12
Structure:
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