9FQH

E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1)

This is a non-PDB format compatible entry.

Summary for 9FQH

• Entry DOI: 10.2210/pdb9fqh/pdb
• Descriptor: E3 ubiquitin-protein ligase CBL-B, 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, ZINC ION, ... (5 entities in total)
• Functional Keywords: ligase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 46502.92

Authors

Schimpl, M. (deposition date: 2024-06-17, release date: 2024-07-31)

• Primary citation: Quinn, T.R.; Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design; To be published,

Experimental method

X-RAY DIFFRACTION (1.786 Å)