Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50432823
Substrate
n/a
Meas. Tech.
ChEMBL_956187 (CHEMBL2379281)
IC50
3000±n/a nM
Citation
 Al-Omary, FA; Hassan, GS; El-Messery, SM; Nagi, MN; Habib, el-SE; El-Subbagh, HI Nonclassical antifolates, part 3: synthesis, biological evaluation and molecular modeling study of some new 2-heteroarylthio-quinazolin-4-ones. Eur J Med Chem 63:33-45 (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:
BDBM50432823
Synonyms:
CHEMBL2376088
Type:
Small organic molecule
Emp. Form.:
C24H19N3O7S
Mol. Mass.:
493.489
SMILES:
COc1cc2nc(Sc3cc(ccc3C(O)=O)[N+]([O-])=O)n(Cc3ccccc3)c(=O)c2cc1OC
Structure:
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