Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50067867
Substrate
n/a
Meas. Tech.
ChEMBL_52974 (CHEMBL664182)
IC50
86.0±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:
BDBM50067867
Synonyms:
6-(3,4-Dimethoxy-phenylsulfanyl)-pyrido[3,2-d]pyrimidine-2,4-diamine | CHEMBL137981
Type:
Small organic molecule
Emp. Form.:
C15H15N5O2S
Mol. Mass.:
329.377
SMILES:
COc1ccc(Sc2ccc3nc(N)nc(N)c3n2)cc1OC
Structure:
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