Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50135137
Substrate
n/a
Meas. Tech.
ChEMBL_55107 (CHEMBL665434)
IC50
480±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:
BDBM50135137
Synonyms:
6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL147870
Type:
Small organic molecule
Emp. Form.:
C14H12Cl2N6
Mol. Mass.:
335.191
SMILES:
Nc1nc(N)c2cc(CNc3ccc(Cl)c(Cl)c3)cnc2n1
Structure:
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