Reaction Details Report a problem with these data
Target
ATP phosphoribosyltransferase
Ligand
BDBM25323
Substrate
BDBM25315
Meas. Tech.
Enzyme Inhibition Assay
pH
8.5000±n/a
Temperature
295.1500±n/a K
IC50
11900±n/a nM
Comments
46% inhibition @ 10 uM.
Citation
 Cho, Y; Ioerger, TR; Sacchettini, JC Discovery of novel nitrobenzothiazole inhibitors for Mycobacterium tuberculosis ATP phosphoribosyl transferase (HisG) through virtual screening. J Med Chem 51:5984-92 (2008) [PubMed]  Article 
Target
Name:
ATP phosphoribosyltransferase
Synonyms:
ATP-PRTase | ATP-PRT | HIS1_MYCTU | hisG
Type:
Glycosyltransferase
Mol. Mass.:
30473.85
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
n/a
Residue:
284
Sequence:
MLRVAVPNKGALSEPATEILAEAGYRRRTDSKDLTVIDPVNNVEFFFLRPKDIAIYVGSGELDFGITGRDLVCDSGAQVRERLALGFGSSSFRYAAPAGRNWTTADLAGMRIATAYPNLVRKDLATKGIEATVIRLDGAVEISVQLGVADAIADVVGSGRTLSQHDLVAFGEPLCDSEAVLIERAGTDGQDQTEARDQLVARVQGVVFGQQYLMLDYDCPRSALKKATAITPGLESPTIAPLADPDWVAIRALVPRRDVNGIMDELAAIGAKAILASDIRFCRF
  
Inhibitor
Name:
BDBM25323
Synonyms:
2-({7-[(3-hydroxyphenyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)-5-nitrophenol | ChemBridge benzoxadiazole, 18
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM25315
Synonyms:
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}oxolan-2-yl]methoxy}phosphonic acid | Phosphoribosyl Pyrophosphate (PRPP)
Type:
Pentosephosphate
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: