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Target
Dihydrofolate reductase
Ligand
BDBM50438440
Substrate
n/a
Meas. Tech.
ChEMBL_975943 (CHEMBL2415592)
IC50
10000±n/a nM
Citation
 Hassan, GS; El-Messery, SM; Al-Omary, FA; Al-Rashood, ST; Shabayek, MI; Abulfadl, YS; Habib, el-SE; El-Hallouty, SM; Fayad, W; Mohamed, KM; El-Menshawi, BS; El-Subbagh, HI Nonclassical antifolates, part 4. 5-(2-aminothiazol-4-yl)-4-phenyl-4H-1,2,4-triazole-3-thiols as a new class of DHFR inhibitors: synthesis, biological evaluation and molecular modeling study. Eur J Med Chem 66:135-45 (2013) [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:
BDBM50438440
Synonyms:
CHEMBL2414371
Type:
Small organic molecule
Emp. Form.:
C19H16N6S3
Mol. Mass.:
424.566
SMILES:
Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1csc(NC(=S)Nc2ccccc2)n1
Structure:
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