Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50051923
Substrate
n/a
Meas. Tech.
ChEMBL_305729 (CHEMBL829401)
IC50
76±n/a nM
Citation
 Gangjee, A; Lin, X CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate reductase. J Med Chem 48:1448-69 (2005) [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:
BDBM50051923
Synonyms:
2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | CHEMBL36245 | N*6*-(3,5-Dimethoxy-benzyl)-N*6*-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C17H20N6O2
Mol. Mass.:
340.3797
SMILES:
COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1
Structure:
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