Target
Dihydrofolate reductase
Ligand
BDBM50031865
Substrate
n/a
Meas. Tech.
ChEMBL_52852 (CHEMBL664376)
IC50
12±n/a nM
Citation
 Rosowsky, AMota, CEWright, JEQueener, SF 2,4-Diamino-5-chloroquinazoline analogues of trimetrexate and piritrexim: synthesis and antifolate activity. J Med Chem 37:4522-8 (1995) [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:
BDBM50031865
Synonyms:
5-Chloro-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-quinazoline-2,4-diamine | CHEMBL328897
Type:
Small organic molecule
Emp. Form.:
C19H22ClN5O3
Mol. Mass.:
403.863
SMILES:
COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2c1Cl
Structure:
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