Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50034937
Substrate
n/a
Meas. Tech.
ChEMBL_52967 (CHEMBL664175)
IC50
13±n/a nM
Citation
 Gangjee, A; Vasudevan, A; Queener, SF; Kisliuk, RL 6-substituted 2,4-diamino-5-methylpyrido[2,3-d]pyrimidines as inhibitors of dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii and as antitumor agents. J Med Chem 38:1778-85 (1995) [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:
BDBM50034937
Synonyms:
6-{[Isopropyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL53693
Type:
Small organic molecule
Emp. Form.:
C21H28N6O3
Mol. Mass.:
412.4854
SMILES:
COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1C)C(C)C
Structure:
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