Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50448050
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1289501 (CHEMBL3117417)
IC50 100±n/a nM
Citation El-Subbagh, HIHassan, GSEl-Messery, SMAl-Rashood, STAl-Omary, FAAbulfadl, YSShabayek, MI Nonclassical antifolates, part 5. Benzodiazepine analogs as a new class of DHFR inhibitors: synthesis, antitumor testing and molecular modeling study. Eur J Med Chem74:234-45 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
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:
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFS
IPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSS
VYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKF
EVYEKNN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50448050
n/a
NameBDBM50448050
Synonyms:CHEMBL3115742
TypeSmall organic molecule
Emp. Form.C26H18Br2Cl2N2
Mol. Mass.589.149
SMILESClc1cc2N=C3C(CCCC3=Cc3ccc(Br)cc3)C(=Nc2cc1Cl)c1ccc(Br)cc1 |w:11.12,c:4,21|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: