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Target
Dihydrofolate reductase
Ligand
BDBM50298800
Substrate
n/a
Meas. Tech.
ChEMBL_947629 (CHEMBL2340616)
IC50
1410±n/a nM
Citation
 Paulsen, JL; Viswanathan, K; Wright, DL; Anderson, AC Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg Med Chem Lett 23:1279-84 (2013) [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:
BDBM50298800
Synonyms:
(+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine | Biphenyl antifolate, 3 | CHEMBL584391 | US8853228, 141
Type:
Small organic molecule
Emp. Form.:
C23H24N4O
Mol. Mass.:
372.4629
SMILES:
COc1cc(cc(c1)-c1ccc(C)cc1)C(C)C#Cc1c(C)nc(N)nc1N
Structure:
Search PDB for entries with ligand similarity: