Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18492
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
1380±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:
BDBM18492
Synonyms:
6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine | JMC517532 Compound 8 | Propargyl-linked, 6 | Propargyl-substituted antifolate, 8 | TMP derivative with propargyl-based linker, 21
Type:
Small organic molecule
Emp. Form.:
C18H22N4O3
Mol. Mass.:
342.3923
SMILES:
COc1cc(cc(OC)c1OC)C(C)C#Cc1c(C)nc(N)nc1N
Structure:
Search PDB for entries with ligand similarity: