Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50262653
Substrate
n/a
Meas. Tech.
ChEMBL_489505 (CHEMBL986428)
IC50
3800±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:
DYR_RAT | Dhfr | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21638.84
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKFEVYEKKD
  
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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