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Target
Dihydrofolate reductase
Ligand
BDBM50066495
Substrate
n/a
Meas. Tech.
ChEMBL_305729 (CHEMBL829401)
IC50
23.8±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:
BDBM50066495
Synonyms:
CHEMBL113816 | N*6*-(3,5-Dimethoxy-benzyl)-N*6*-methyl-quinazoline-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C18H21N5O2
Mol. Mass.:
339.3916
SMILES:
COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1
Structure:
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