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Target
Dihydrofolate reductase
Ligand
BDBM50036489
Substrate
n/a
Meas. Tech.
ChEMBL_52979 (CHEMBL664187)
IC50
>18000±n/a nM
Citation
 Rosowsky, A; Mota, CE; Queener, SF; Waltham, M; Ercikan-Abali, E; Bertino, JR 2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii. J Med Chem 38:745-52 (1995) [PubMed]
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:
BDBM50036489
Synonyms:
5-(2,5-Dimethoxy-phenylethynyl)-quinazoline-2,4-diamine | CHEMBL162312
Type:
Small organic molecule
Emp. Form.:
C18H16N4O2
Mol. Mass.:
320.3452
SMILES:
COc1ccc(OC)c(c1)C#Cc1cccc2nc(N)nc(N)c12
Structure:
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