Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50050386
Substrate
n/a
Meas. Tech.
ChEMBL_55107 (CHEMBL665434)
IC50
1900±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:
BDBM50050386
Synonyms:
6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL23288
Type:
Small organic molecule
Emp. Form.:
C17H20N6O3
Mol. Mass.:
356.3791
SMILES:
COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: