Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50298801
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
42±n/a nM
Citation
 Anderson, AC; Wright, DL; Frey, KM; Paulsen, JL; Scocchera, EW; Viswanathan, K Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase US Patent  US8853228 Publication Date 10/7/2014 
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:
BDBM50298801
Synonyms:
(+/-)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine | Biphenyl antifolate, 2 | CHEMBL575217 | US8853228, 140
Type:
Small organic molecule
Emp. Form.:
C24H26N4O
Mol. Mass.:
386.4894
SMILES:
COc1cc(cc(c1)-c1cc(C)cc(C)c1)C(C)C#Cc1c(C)nc(N)nc1N
Structure:
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