Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM476672
Substrate
n/a
Meas. Tech.
Enzyme Inhibition
IC50
688±n/a nM
Citation
 Wright, D; Anderson, AC; Scocchera, E; Dayanandan, NG; Keshipeddy, S; Reeve, S; Lombardo, MN; Cynamon, MH Zwitterionic propargyl-linked antifolates useful for treating bacterial infections US Patent  US10870625 Publication Date 12/22/2020 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM476672
Synonyms:
US10870625, Compound 59
Type:
Small organic molecule
Emp. Form.:
C23H22N4O3
Mol. Mass.:
402.4458
SMILES:
CCc1nc(N)nc(N)c1C#CCc1ccc(OC)c(c1)-c1ccc(cc1)C(O)=O
Structure:
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