Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50298802
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
210±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:
BDBM50298802
Synonyms:
(+/-)-5-(3-(4'-tert-butyl-5-methoxybiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine | Biphenyl antifolate, 24 | CHEMBL578424
Type:
Small organic molecule
Emp. Form.:
C26H30N4O
Mol. Mass.:
414.5426
SMILES:
COc1cc(cc(c1)-c1ccc(cc1)C(C)(C)C)C(C)C#Cc1c(C)nc(N)nc1N
Structure:
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