Target
Dihydrofolate reductase
Ligand
BDBM50029766
Substrate
n/a
Meas. Tech.
ChEMBL_305729 (CHEMBL829401)
IC50
13.2±n/a nM
Citation
 Gangjee, ALin, X CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate reductase. J Med Chem 48:1448-69 (2005) [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:
BDBM50029766
Synonyms:
2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE | 5-Methyl-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL50514
Type:
Small organic molecule
Emp. Form.:
C19H24N6O3
Mol. Mass.:
384.4323
SMILES:
COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Structure:
Search PDB for entries with ligand similarity: