Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50078465
Substrate
n/a
Meas. Tech.
ChEMBL_55137 (CHEMBL668780)
IC50
55.6±n/a nM
Citation
 Gangjee, A; Adair, O; Queener, SF Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase inhibitors and antitumor agents: synthesis and biological activities of 2,4-diamino-5-methyl-6-[(monosubstituted anilino)methyl] pyrido[2,3-d]pyrimidines. J Med Chem 42:2447-55 (1999) [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:
BDBM50078465
Synonyms:
6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL312348
Type:
Small organic molecule
Emp. Form.:
C16H18N6O
Mol. Mass.:
310.3537
SMILES:
COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1
Structure:
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