Identification and optimization of pyridazi s as potent and selective c-Met kinase inhibitor

Structure

x-ray diffraction · resolution 2 · 1 distinct chain · 41% helix, 17% strand (DSSP).

Ligands and binding sites

• 3EH · 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate · ligand · chains A
• 7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Compared structures

• 4R1Y · Identification and optimization of pyridazinones as potent and selective C-met kinase… · the same entry in another collection · chain A against A, TM-score 1.00
• P08581 · AlphaFold monomer V2.0 prediction for hepatocyte growth factor receptor (P08581) · a predicted model of the same protein · chain A against A, TM-score 0.92

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P08581
• Elsewhere: RCSB PDB 4R1Y · PDBe 4R1Y · UniProt P08581