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Ligand · WBI

WBI · N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide

WBI, N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide (C22 H22 N4 O2, 374.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
WBI
Formula
C22 H22 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

WBI in 2 structures; the first of them:

  • 4CVA · MPS1 kinase with 3-aminopyridin-2-one inhibitors · WBI A1795 · binds ILE531, VAL539, ALA551, LYS553, ILE586, MET602, GLU603, CYS604 and 7 more
  • 4CVA · MPS1 kinase with 3-aminopyridin-2-one inhibitors · WBI A1795 · binds ILE531, VAL539, ALA551, LYS553, ILE586, MET602, GLU603, CYS604 and 7 more

Residues it binds most

ILE 2, ALA 2, ASN 2, ASP 2, CYS 2, GLU 2, GLY 2, LEU 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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