Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50196317
Substrate
n/a
Meas. Tech.
ChEMBL_1618320 (CHEMBL3860489)
IC50
2000±n/a nM
Citation
 El-Messery, SM; Hassan, GS; Nagi, MN; Habib, EE; Al-Rashood, ST; El-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:
BDBM50196317
Synonyms:
CHEMBL3955772
Type:
Small organic molecule
Emp. Form.:
C25H24N2O4S
Mol. Mass.:
448.534
SMILES:
COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(C)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: