Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50329608
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
290±0.0 nM
Citation
 Liu, J; Bolstad, DB; Smith, AE; Priestley, ND; Wright, DL; Anderson, AC Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors. Chem Biol Drug Des 73:62-74 (2009) [PubMed]  Article
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:
BDBM50329608
Synonyms:
6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-ynyl)pyrimidine-2,4-diamine | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine | CHEMBL1230365 | Propargyl-substituted antifolate, 14
Type:
Small organic molecule
Emp. Form.:
C19H24N4O3
Mol. Mass.:
356.4189
SMILES:
COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N
Structure:
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