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Target
Dihydrofolate reductase
Ligand
BDBM50056232
Substrate
n/a
Meas. Tech.
ChEMBL_52985 (CHEMBL665254)
IC50
18500±n/a nM
Citation
 Gangjee, A; Devraj, R; Queener, SF Synthesis and dihydrofolate reductase inhibitory activities of 2,4-diamino-5-deaza and 2,4-diamino-5,10-dideaza lipophilic antifolates. J Med Chem 40:470-8 (1997) [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:
BDBM50056232
Synonyms:
CHEMBL342555 | N-(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmethyl)-N-(3,4,5-trimethoxy-phenyl)-formamide
Type:
Small organic molecule
Emp. Form.:
C18H20N6O4
Mol. Mass.:
384.3892
SMILES:
COc1cc(cc(OC)c1OC)N(Cc1cnc2nc(N)nc(N)c2c1)C=O
Structure:
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