About: The RMSD for the backbone of the 3LN1, 5KIR and 3KK6 complexes (ZNC2090319 in blue and ZNC408709 in red)

3LN1, 5KIR and 3KK6

Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches 3

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Scientist
Josiane V Cruz , Silvana Giuliatti , Levy B Alves , Raí C Silva , Elenilze F B Ferreira , Njogu M Kimani , Carlos H T P Silva , João S N de Souza , José M Espejo-Román , Cleydson B R Santos
Protein
Cyclooxygenase 2 (COX-2)
Ligand
ZNC2090319 and ZNC408709
Simulation Duration
InChIKey
N/A
SMILES
N/A
Molecular Formula
N/A
Protein Details
Cox-2 is the inducible form of cyclo-oxygenase and catalyzes the conversion of arachidonic acid to prostaglandins. Cox-2 is expressed by inflammatory cells, such as macrophages, and can be induced by TNF and EGF
Ligand Details
" ZNC408709 (1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(2-methylphenyl)), ZNC2090319 (2-Butanone, 4-[5-methyl-3-(4- methylphenyl)-2-benzofuranyl]) "
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