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Target
Dihydrofolate reductase
Ligand
BDBM50035481
Substrate
n/a
Meas. Tech.
ChEMBL_52852 (CHEMBL664376)
IC50
33±n/a nM
Citation
 Rosowsky, A; Mota, CE; Wright, JE; Queener, SF 2,4-Diamino-5-chloroquinazoline analogues of trimetrexate and piritrexim: synthesis and antifolate activity. J Med Chem 37:4522-8 (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:
BDBM50035481
Synonyms:
5-Chloro-N*6*-(3,4,5-trimethoxy-benzyl)-quinazoline-2,4,6-triamine | 5-chloro-N6-(3,4,5-trimethoxybenzyl)quinazoline-2,4,6-triamine | CHEMBL137942
Type:
Small organic molecule
Emp. Form.:
C18H20ClN5O3
Mol. Mass.:
389.836
SMILES:
COc1cc(CNc2ccc3nc(N)nc(N)c3c2Cl)cc(OC)c1OC
Structure:
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