Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50190621
Substrate
n/a
Meas. Tech.
ChEMBL_1933058 (CHEMBL4478710)
Ki
4.8±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:
BDBM50190621
Synonyms:
CHEMBL3827532 | US10870625, Compound 15
Type:
Small organic molecule
Emp. Form.:
C23H22N4O3
Mol. Mass.:
402.4458
SMILES:
CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1ccc(cc1)C(O)=O
Structure:
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