Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50262653
Substrate
n/a
Meas. Tech.
ChEMBL_489491 (CHEMBL983757)
IC50
>15000±n/a nM
Citation
 Gangjee, A; Jain, HD; Queener, SF; Kisliuk, RL The effect of 5-alkyl modification on the biological activity of pyrrolo[2,3-d]pyrimidine containing classical and nonclassical antifolates as inhibitors of dihydrofolate reductase and as antitumor and/or antiopportunistic infection agents. J Med Chem 51:4589-600 (2008) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50262653
Synonyms:
2,4-Diamino-5-propyl-6-(2'-naphthylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine | CHEMBL478213
Type:
Small organic molecule
Emp. Form.:
C19H19N5S
Mol. Mass.:
349.453
SMILES:
CCCc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12
Structure:
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