Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50051913
Substrate
n/a
Meas. Tech.
ChEMBL_55107 (CHEMBL665434)
IC50
57±n/a nM
Citation
 Gangjee, A; Adair, OO; Queener, SF Synthesis and biological evaluation of 2,4-diamino-6-(arylaminomethyl)pyrido[2,3-d]pyrimidines as inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase and as antiopportunistic infection and antitumor agents. J Med Chem 46:5074-82 (2003) [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:
BDBM50051913
Synonyms:
CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE | N6-(2,5-dimethoxybenzyl)-N6-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C17H20N6O2
Mol. Mass.:
340.3797
SMILES:
COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1
Structure:
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