Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50316119
Substrate
n/a
Meas. Tech.
ChEMBL_623483 (CHEMBL1113554)
IC50
1000±n/a nM
Citation
 Al-Omary, FA; Abou-Zeid, LA; Nagi, MN; Habib, el-SE; Abdel-Aziz, AA; El-Azab, AS; Abdel-Hamide, SG; Al-Omar, MA; Al-Obaid, AM; El-Subbagh, HI Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones. Bioorg Med Chem 18:2849-63 (2010) [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:
BDBM50316119
Synonyms:
3-Benzyl-6-diallylamino-2-methylthio-quinazolin-4(3H)-one | CHEMBL1092682
Type:
Small organic molecule
Emp. Form.:
C22H23N3OS
Mol. Mass.:
377.503
SMILES:
CSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)N(CC=C)CC=C
Structure:
Search PDB for entries with ligand similarity: