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Target
Dihydrofolate reductase
Ligand
BDBM50063982
Substrate
n/a
Meas. Tech.
ChEMBL_53136 (CHEMBL665857)
IC50
50900±n/a nM
Citation
 Gangjee, A; Guo, X; Queener, SF; Cody, V; Galitsky, N; Luft, JR; Pangborn, W Selective Pneumocystis carinii dihydrofolate reductase inhibitors: design, synthesis, and biological evaluation of new 2,4-diamino-5-substituted-furo[2,3-d]pyrimidines. J Med Chem 41:1263-71 (1998) [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:
BDBM50063982
Synonyms:
5-((2,5-dichlorophenylamino)methyl)furo[2,3-d]pyrimidine-2,4-diamine | 5-[(2,5-Dichloro-phenylamino)-methyl]-furo[2,3-d]pyrimidine-2,4-diamine | CHEMBL277438
Type:
Small organic molecule
Emp. Form.:
C13H11Cl2N5O
Mol. Mass.:
324.165
SMILES:
Nc1nc(N)c2c(CNc3cc(Cl)ccc3Cl)coc2n1
Structure:
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