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Target
Dihydrofolate reductase
Ligand
BDBM50448066
Substrate
n/a
Meas. Tech.
ChEMBL_1289501 (CHEMBL3117417)
IC50
500±n/a nM
Citation
 El-Subbagh, HI; Hassan, GS; El-Messery, SM; Al-Rashood, ST; Al-Omary, FA; Abulfadl, YS; Shabayek, MI Nonclassical antifolates, part 5. Benzodiazepine analogs as a new class of DHFR inhibitors: synthesis, antitumor testing and molecular modeling study. Eur J Med Chem 74:234-45 (2014) [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:
BDBM50448066
Synonyms:
CHEMBL3115731
Type:
Small organic molecule
Emp. Form.:
C28H32N2O6
Mol. Mass.:
492.5635
SMILES:
COc1cc(\C=C2/CCCc3c2nc(C)nc3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Structure:
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