Reaction Details Report a problem with these data
Target
ATP phosphoribosyltransferase
Ligand
BDBM25317
Substrate
BDBM25315
Meas. Tech.
Enzyme Inhibition Assay
pH
8.5±n/a
Temperature
295.15±n/a K
IC50
10000±n/a nM
Comments
50% 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-PRT | ATP-PRTase | HIS1_MYCTU | hisG
Type:
Glycosyltransferase
Mol. Mass.:
30473.85
Organism:
Mycobacterium tuberculosis
Description:
n/a
Residue:
284
Sequence:
MLRVAVPNKGALSEPATEILAEAGYRRRTDSKDLTVIDPVNNVEFFFLRPKDIAIYVGSGELDFGITGRDLVCDSGAQVRERLALGFGSSSFRYAAPAGRNWTTADLAGMRIATAYPNLVRKDLATKGIEATVIRLDGAVEISVQLGVADAIADVVGSGRTLSQHDLVAFGEPLCDSEAVLIERAGTDGQDQTEARDQLVARVQGVVFGQQYLMLDYDCPRSALKKATAITPGLESPTIAPLADPDWVAIRALVPRRDVNGIMDELAAIGAKAILASDIRFCRF
  
Inhibitor
Name:
BDBM25317
Synonyms:
3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]-7-nitronaphthalene-1-sulfonic acid | ChemBridge nitronaphthalene-1-sulfonic acid, 14
Type:
Small organic molecule
Emp. Form.:
C20H13N3O7S
Mol. Mass.:
439.398
SMILES:
Oc1cc(c2cc(ccc2c1N=Nc1ccc2ccccc2c1O)[N+]([O-])=O)S(O)(=O)=O |w:12.14|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM25315
Synonyms:
Phosphoribosyl Pyrophosphate (PRPP) | {[(2R,3S,4R,5R)-3,4-dihydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}oxolan-2-yl]methoxy}phosphonic acid
Type:
Pentosephosphate
Emp. Form.:
C5H13O14P3
Mol. Mass.:
390.0696
SMILES:
O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: