Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNH(3)-dependent NAD(+) synthetase
LigandBDBM50130806
Substrate/Competitorn/a
Meas. Tech.ChEMBL_141613 (CHEMBL747929)
IC50>1000000±n/a nM
Citation Velu, SECristofoli, WAGarcia, GJBrouillette, CGPierson, MCLuan, CHDeLucas, LJBrouillette, WJ Tethered dimers as NAD synthetase inhibitors with antibacterial activity. J Med Chem46:3371-81 (2003) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
NH(3)-dependent NAD(+) synthetase
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:
MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQ
LAVESIREEGGDAQFIAVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQ
QETGDQLTDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLL
PLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKE
VSAKVSEALEKRYSMTEHKRQVPASMFDDWWK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50130806
n/a
NameBDBM50130806
Synonyms:1-Methyl-3-[2-(5-nitro-indol-1-yl)-ethoxycarbonyl]-pyridinium; iodide | CHEMBL111818
TypeSmall organic molecule
Emp. Form.C17H16N3O4
Mol. Mass.326.3261
SMILESC[n+]1cccc(c1)C(=O)OCCn1ccc2cc(ccc12)[N+]([O-])=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: