Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50536185
Substrate
n/a
Meas. Tech.
ChEMBL_1933058 (CHEMBL4478710)
Ki
1.6±n/a nM
Citation
 Reeve, SM; Scocchera, E; Ferreira, JJ; G-Dayanandan, N; Keshipeddy, S; Wright, DL; Anderson, AC Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations. J Med Chem 59:6493-500 (2016) [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:
BDBM50536185
Synonyms:
CHEMBL4588910 | US10870625, Compound 57
Type:
Small organic molecule
Emp. Form.:
C22H23N5O
Mol. Mass.:
373.4509
SMILES:
CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(ccc1OC)-c1ccncc1 |r|
Structure:
Search PDB for entries with ligand similarity: