Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18490
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
Temperature
298.15±0 K
IC50
400±62 nM
Citation
 Liu, J; Bolstad, DB; Smith, AE; Priestley, ND; Wright, DL; Anderson, AC Structure-guided development of efficacious antifungal agents targeting Candida glabrata dihydrofolate reductase. Chem Biol 15:990-6 (2008) [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:
BDBM18490
Synonyms:
6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine | JMC517532 Compound 4 | Propargyl-linked, 5 | Propargyl-substituted antifolate, 7 | TMP derivative with propargyl-based linker, 16
Type:
Small organic molecule
Emp. Form.:
C17H20N4O3
Mol. Mass.:
328.3657
SMILES:
COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: