Target
Dihydrofolate reductase
Ligand
BDBM50029763
Substrate
n/a
Meas. Tech.
ChEMBL_53000 (CHEMBL858265)
Ki
17.38±n/a nM
Citation
 Marlowe, CKSelassie, CDSanti, DV Quantitative structure-activity relationships of the inhibition of Pneumocystis carinii dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(X-phenyl)-s-triazines. J Med Chem 38:967-72 (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:
BDBM50029763
Synonyms:
5-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2,4-diamine | CHEMBL280378 | Epiroprim | TCMDC-137295
Type:
Small organic molecule
Emp. Form.:
C19H23N5O2
Mol. Mass.:
353.4182
SMILES:
CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1
Structure:
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