Reaction Details Report a problem with these data
Target
Glutamate racemase
Ligand
BDBM50245950
Substrate
n/a
Meas. Tech.
ChEMBL_558148 (CHEMBL959077)
pH
8±n/a
IC50
2100±n/a nM
Comments
extracted
Citation
 Breault, GA; Comita-Prevoir, J; Eyermann, CJ; Geng, B; Petrichko, R; Doig, P; Gorseth, E; Noonan, B Exploring 8-benzyl pteridine-6,7-diones as inhibitors of glutamate racemase (MurI) in gram-positive bacteria. Bioorg Med Chem Lett 18:6100-3 (2008) [PubMed]  Article 
Target
Name:
Glutamate racemase
Synonyms:
MURI_ENTFA | murI
Type:
PROTEIN
Mol. Mass.:
29478.43
Organism:
Enterococcus faecalis
Description:
ChEMBL_558148
Residue:
273
Sequence:
MSNQEAIGLIDSGVGGLTVLKEALKQLPNERLIYLGDTARCPYGPRPAEQVVQFTWEMADFLLKKRIKMLVIACNTATAVALEEIKAALPIPVVGVILPGARAAVKVTKNNKIGVIGTLGTIKSASYEIAIKSKAPTIEVTSLDCPKFVPIVESNQYRSSVAKKIVAETLQALQLKGLDTLILGCTHYPLLRPVIQNVMGSHVTLIDSGAETVGEVSMLLDYFDIAHTPEAPTQPHEFYTTGSAKMFEEIASSWLGIENLKAQQIHLGGNEND
  
Inhibitor
Name:
BDBM50245950
Synonyms:
2-(butylthio)-8-(4-fluorobenzyl)-4-(3-hydroxyazetidin-1-yl)pteridine-6,7(5H,8H)-dione | CHEMBL517581
Type:
Small organic molecule
Emp. Form.:
C20H22FN5O3S
Mol. Mass.:
431.484
SMILES:
CCCCSc1nc(N2CC(O)C2)c2[nH]c(=O)c(=O)n(Cc3ccc(F)cc3)c2n1
Structure:
Search PDB for entries with ligand similarity: