8S3R

HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7

This is a non-PDB format compatible entry.

Summary for 8S3R

• Entry DOI: 10.2210/pdb8s3r/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, ... (4 entities in total)
• Functional Keywords: pi3kdelta kinase, pi3kdelta kinase inhibitor, transferase
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 2
• Total formula weight: 137988.76

Authors

Pala, D.,Bruno, P.,Capelli, A.M.,Biagetti, M. (deposition date: 2024-02-20, release date: 2024-07-03)

• Primary citation: Bruno, P.,Micoli, A.,Corsi, M.,Pala, D.,Guariento, S.,Fiorelli, C.,Ronchi, P.,Fioni, A.,Gallo, P.M.,Marenghi, G.,Bertolini, S.,Capacchi, S.,Mileo, V.,Biagetti, M.,Capelli, A.M.; Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation.; J.Med.Chem., 2024; PubMed: 38907711; DOI: 10.1021/acs.jmedchem.4c00610

Experimental method

X-RAY DIFFRACTION (2.28 Å)