11HQ

Type-III c-MET Inhibitor Enabled by Free-Energy Perturbation Calculations

This is a non-PDB format compatible entry.

Summary for 11HQ

• Entry DOI: 10.2210/pdb11hq/pdb
• Descriptor: Hepatocyte growth factor receptor, (1R,6M)-1-benzyl-6-[(3P)-3-(1-ethyl-1H-pyrazol-4-yl)-5-fluorophenyl]-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one (3 entities in total)
• Functional Keywords: tyrosine kinase, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 3
• Total formula weight: 105983.48

Authors

Eiler, D.R.,Abraham, N.,Kutter, S.,Kroeck, K.G. (deposition date: 2026-02-25, release date: 2026-05-27)

• Primary citation: Therrien, E.,Feng, S.,Amberg-Johnson, K.,Shaikh, N.,Patil, P.,Majumdar, S.,Abraham, N.,Eiler, D.,Kutter, S.,Albanese, S.K.,Haldar, S.,Kroeck, K.G.,Atsriku, C.,Gerasyuto, A.I.,Levinson, A.M.; Discovery of 2H-Pyrrolo[3,4-c]pyridin-3-one Derivatives as Type-III c-MET Inhibitors Enabled by Free-Energy Perturbation Calculations; Acs Med.Chem.Lett., 2026; DOI: 10.1021/acsmedchemlett.6c00158

Experimental method

X-RAY DIFFRACTION (2.65 Å)