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Target
Dihydrofolate reductase
Ligand
BDBM50056246
Substrate
n/a
Meas. Tech.
ChEMBL_52972 (CHEMBL664180)
IC50
350±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:
BDBM50056246
Synonyms:
6-[(2,5-Dimethoxy-4-pyrrol-1-yl-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL435479
Type:
Small organic molecule
Emp. Form.:
C21H23N7O2
Mol. Mass.:
405.453
SMILES:
COc1cc(c(OC)cc1NCc1cnc2nc(N)nc(N)c2c1C)-n1cccc1
Structure:
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