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Target
Dihydrofolate reductase
Ligand
BDBM50059925
Substrate
n/a
Meas. Tech.
ChEMBL_52848 (CHEMBL665052)
IC50
34000±n/a nM
Citation
 Gangjee, A; Vasudevan, A; Queener, SF Conformationally restricted analogues of trimethoprim: 2,6-diamino-8-substituted purines as potential dihydrofolate reductase inhibitors from Pneumocystis carinii and Toxoplasma gondii. J Med Chem 40:3032-9 (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:
BDBM50059925
Synonyms:
8-[(3,4,5-Trimethoxy-phenylamino)-methyl]-9H-purine-2,6-diamine | CHEMBL102444
Type:
Small organic molecule
Emp. Form.:
C15H19N7O3
Mol. Mass.:
345.3565
SMILES:
COc1cc(NCc2nc3nc(N)nc(N)c3[nH]2)cc(OC)c1OC
Structure:
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