Reaction Details Report a problem with these data
Target
NH(3)-dependent NAD(+) synthetase
Ligand
BDBM50130814
Substrate
n/a
Meas. Tech.
ChEMBL_141613 (CHEMBL747929)
IC50
18000±n/a nM
Citation
 Velu, SE; Cristofoli, WA; Garcia, GJ; Brouillette, CG; Pierson, MC; Luan, CH; DeLucas, LJ; Brouillette, WJ Tethered dimers as NAD synthetase inhibitors with antibacterial activity. J Med Chem 46:3371-81 (2003) [PubMed]  Article 
Target
Name:
NH(3)-dependent NAD(+) synthetase
Synonyms:
GSP38 | General stress protein 38 | NADE_BACSU | Spore outgrowth factor B | Sporulation protein outB | nadE | outB
Type:
PROTEIN
Mol. Mass.:
30386.77
Organism:
Bacillus subtilis
Description:
ChEMBL_141613
Residue:
272
Sequence:
MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDAQFIAVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQLTDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVPASMFDDWWK
  
Inhibitor
Name:
BDBM50130814
Synonyms:
CHEMBL320538 | {4-[9-(5-Benzyloxy-2-methoxycarbonyl-indol-1-yl)-nonyloxycarbonylmethyl]-phenyl}-trimethyl-ammonium; iodide
Type:
Small organic molecule
Emp. Form.:
C37H47N2O5
Mol. Mass.:
599.7789
SMILES:
COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C
Structure:
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