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Target
Dihydrofolate reductase
Ligand
BDBM50042358
Substrate
n/a
Meas. Tech.
ChEBML_52835
IC50
>1200±n/a nM
Citation
 Gangjee, A; Shi, J; Queener, SF; Barrows, LR; Kisliuk, RL Synthesis of 5-methyl-5-deaza nonclassical antifolates as inhibitors of dihydrofolate reductases and as potential antipneumocystis, antitoxoplasma, and antitumor agents. J Med Chem 36:3437-43 (1993) [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:
BDBM50042358
Synonyms:
CHEMBL117172 | N-(2,4-Diamino-5-methyl-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-N-(3,4,5-trimethoxy-phenyl)-formamide
Type:
Small organic molecule
Emp. Form.:
C19H26N6O4
Mol. Mass.:
402.4475
SMILES:
COc1cc(cc(OC)c1OC)N(CC1CNc2nc(N)nc(N)c2C1C)C=O
Structure:
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