Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50448742
Substrate
n/a
Meas. Tech.
ChEMBL_1298221 (CHEMBL3130226)
Ki
0.160000±n/a nM
Citation
 Lam, T; Hilgers, MT; Cunningham, ML; Kwan, BP; Nelson, KJ; Brown-Driver, V; Ong, V; Trzoss, M; Hough, G; Shaw, KJ; Finn, J Structure-based design of new dihydrofolate reductase antibacterial agents: 7-(benzimidazol-1-yl)-2,4-diaminoquinazolines. J Med Chem 57:651-68 (2014) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_STAAU | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase (DfrB) | Tetrahydrofolate dehydrogenase | folA
Type:
Enzyme
Mol. Mass.:
18249.71
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
159
Sequence:
MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
  
Inhibitor
Name:
BDBM50448742
Synonyms:
CHEMBL3128016
Type:
Small organic molecule
Emp. Form.:
C20H17N7O2S
Mol. Mass.:
419.46
SMILES:
COc1cc2nc(-c3nccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1OC
Structure:
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