Target
Dihydrofolate reductase
Ligand
BDBM50196310
Substrate
n/a
Meas. Tech.
ChEBML_1618320
IC50
800±n/a nM
Citation
 El-Messery, SMHassan, GSNagi, MNHabib, EEAl-Rashood, STEl-Subbagh, HI Synthesis, biological evaluation and molecular modeling study of some new methoxylated 2-benzylthio-quinazoline-4(3H)-ones as nonclassical antifolates. Bioorg Med Chem Lett 26:4815-4823 (2016) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_BOVIN | Dihydrofolate reductase | Dihydrofolate reductase (DHFR)
Type:
Enzyme
Mol. Mass.:
21603.71
Organism:
Bos taurus (Cattle)
Description:
P00376
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN
  
Inhibitor
Name:
BDBM50196310
Synonyms:
CHEMBL3945396
Type:
Small organic molecule
Emp. Form.:
C23H19ClN2O3S
Mol. Mass.:
438.927
SMILES:
COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2OC)cc1 |(102.37,-34.16,;101.04,-34.94,;99.71,-34.17,;98.37,-34.95,;97.04,-34.19,;97.04,-32.65,;95.7,-31.88,;95.7,-30.34,;94.36,-29.58,;93.03,-30.35,;91.69,-29.58,;90.36,-30.36,;89.02,-29.59,;89.02,-28.05,;87.69,-27.28,;90.35,-27.28,;91.69,-28.04,;93.01,-27.27,;93.01,-25.73,;94.35,-28.03,;95.67,-27.25,;97.01,-28.02,;98.34,-27.24,;98.33,-25.7,;96.98,-24.94,;95.66,-25.72,;94.32,-24.96,;94.31,-23.42,;98.36,-31.87,;99.7,-32.63,)|
Structure:
Search PDB for entries with ligand similarity: