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Target
Dihydrofolate reductase
Ligand
BDBM18268
Substrate
n/a
Meas. Tech.
ChEMBL_54086 (CHEMBL669983)
IC50
42±n/a nM
Citation
 Gangjee, A; Lin, X; Queener, SF Design, synthesis, and biological evaluation of 2,4-diamino-5-methyl-6-substituted-pyrrolo[2,3-d]pyrimidines as dihydrofolate reductase inhibitors. J Med Chem 47:3689-92 (2004) [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:
BDBM18268
Synonyms:
5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine | CHEMBL119 | TMQ | Trimetrexate | US11111252, Compound TMQ | US11530198, Example Trimetrexate
Type:
Small organic molecule
Emp. Form.:
C19H23N5O3
Mol. Mass.:
369.4176
SMILES:
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Structure:
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