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Target
Dihydrofolate reductase
Ligand
BDBM50056244
Substrate
n/a
Meas. Tech.
ChEMBL_52972 (CHEMBL664180)
IC50
850.0±n/a nM
Citation
 Gangjee, A; Vasudevan, A; Queener, SF Synthesis and biological evaluation of nonclassical 2,4-diamino-5-methylpyrido[2,3-d]pyrimidines with novel side chain substituents as potential inhibitors of dihydrofolate reductases. J Med Chem 40:479-85 (1997) [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:
BDBM50056244
Synonyms:
6-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL147886
Type:
Small organic molecule
Emp. Form.:
C20H24N6O2
Mol. Mass.:
380.4436
SMILES:
COc1cc2CCN(Cc3cnc4nc(N)nc(N)c4c3C)Cc2cc1OC
Structure:
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