9FQI

E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7)

This is a non-PDB format compatible entry.

Summary for 9FQI

• Entry DOI: 10.2210/pdb9fqi/pdb
• Descriptor: E3 ubiquitin-protein ligase CBL-B, 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]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: 46465.87

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 (1.954 Å)