Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50536185
Substrate
n/a
Meas. Tech.
Enzyme Inhibition
IC50
144±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:
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:
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