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TitleDiscovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Journal, issue, pagesMolecules, Vol. 25, Year 2020
Publish dateMar 10, 2020 (structure data deposition date)
AuthorsBuonfiglio, R. / Prati, F. / Bischetti, M. / Cavarischia, C. / Furlotti, G. / Ombrato, R.
External linksMolecules / PubMed:32380735
MethodsX-ray diffraction
Resolution2.03 - 2.08 Å
Structure data

PDB-6y9r:
Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-6y9s:
Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

Chemicals

ChemComp-OH8:
~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{H}-indazole-3-carboxamide

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-OHK:
~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / GLYCOGEN SYNTHASE KINASE-3 BETA / INDAZOLE / INHIBITOR / KINASE / PROTEROS BIOSTRUCTURES GMBH

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