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Target
Dihydrofolate reductase
Ligand
BDBM50316121
Substrate
n/a
Meas. Tech.
ChEMBL_623483 (CHEMBL1113554)
IC50
500±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:
BDBM50316121
Synonyms:
CHEMBL1089229 | N-(3-Benzyl-2-cinnamylthio-4-oxo-3,4-dihydroquinazolin-6-yl)-cinnamamide
Type:
Small organic molecule
Emp. Form.:
C33H27N3O2S
Mol. Mass.:
529.651
SMILES:
O=C(Nc1ccc2nc(SC\C=C\c3ccccc3)n(Cc3ccccc3)c(=O)c2c1)\C=C\c1ccccc1
Structure:
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