Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50067865
Substrate
n/a
Meas. Tech.
ChEMBL_52974 (CHEMBL664182)
IC50
2.3±n/a nM
Citation
 Gangjee, A; Zhu, Y; Queener, SF 6-Substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues of piritrexim as inhibitors of dihydrofolate reductase from rat liver, Pneumocystis carinii, and Toxoplasma gondii and as antitumor agents. J Med Chem 41:4533-41 (1998) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_PNECA | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
23891.29
Organism:
Pneumocystis carinii
Description:
n/a
Residue:
206
Sequence:
MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRDL
  
Inhibitor
Name:
BDBM50067865
Synonyms:
CHEMBL337603 | N*6*-(3,4-Dimethoxy-phenyl)-N*6*-methyl-pyrido[3,2-d]pyrimidine-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C16H18N6O2
Mol. Mass.:
326.3531
SMILES:
COc1ccc(cc1OC)N(C)c1ccc2nc(N)nc(N)c2n1
Structure:
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