Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50050383
Substrate
n/a
Meas. Tech.
ChEMBL_52980 (CHEMBL664188)
IC50
970±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:
BDBM50050383
Synonyms:
6-[(4-Chloro-phenylamino)-methyl]-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL23492
Type:
Small organic molecule
Emp. Form.:
C14H13ClN6
Mol. Mass.:
300.746
SMILES:
Nc1nc(N)c2cc(CNc3ccc(Cl)cc3)cnc2n1
Structure:
Search PDB for entries with ligand similarity: