Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM226165
Substrate
n/a
Meas. Tech.
Dihydrofolate Reductase (DHFR) Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
10.0±5.7 nM
Comments
extracted
Citation
 El-Gazzar, YI; Georgey, HH; El-Messery, SM; Ewida, HA; Hassan, GS; Raafat, MM; Ewida, MA; El-Subbagh, HI Synthesis, biological evaluation and molecular modeling study of new (1,2,4-triazole or 1,3,4-thiadiazole)-methylthio-derivatives of quinazolin-4(3H)-one as DHFR inhibitors Bioorg Chem 72:282-292 (2017)   
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:
BDBM226165
Synonyms:
N'-[4-Methoxybenzylidene-2-(6-chloro)-3-(4-methoxy-phenyl)-4-oxo-3,4-dihydroquinazolin-2-yl-thio]acetohydrazide (17)
Type:
Small organic molecule
Emp. Form.:
C25H21ClN4O4S
Mol. Mass.:
508.977
SMILES:
COc1ccc(\C=N\NC(=O)CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(OC)cc2)cc1
Structure:
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