Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50050394
Substrate
n/a
Meas. Tech.
ChEMBL_52980 (CHEMBL664188)
IC50
680±n/a nM
Citation
 Piper, JR; Johnson, CA; Krauth, CA; Carter, RL; Hosmer, CA; Queener, SF; Borotz, SE; Pfefferkorn, 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:
BDBM50050394
Synonyms:
6-[(3-Methoxy-5-trifluoromethyl-phenylamino)-methyl]-pteridine-2,4-diamine | CHEMBL23466
Type:
Small organic molecule
Emp. Form.:
C15H14F3N7O
Mol. Mass.:
365.3132
SMILES:
COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: