Target
Dihydrofolate reductase
Ligand
BDBM50050416
Substrate
n/a
Meas. Tech.
ChEMBL_52980 (CHEMBL664188)
IC50
58200±n/a nM
Citation
 Piper, JRJohnson, CAKrauth, CACarter, RLHosmer, CAQueener, SFBorotz, SEPfefferkorn, ER Lipophilic antifolates as agents against opportunistic infections. 1. Agents superior to trimetrexate and piritrexim against Toxoplasma gondii and Pneumocystis carinii in in vitro evaluations. J Med Chem 39:1271-80 (1996) [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:
BDBM50050416
Synonyms:
6-(3,4-Dimethoxy-phenylsulfanylmethyl)-pteridine-2,4-diamine | CHEMBL23286
Type:
Small organic molecule
Emp. Form.:
C15H16N6O2S
Mol. Mass.:
344.392
SMILES:
COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1OC
Structure:
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