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Ligand · 8GY

8GY · 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one

8GY, 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one (C21 H23 N5 O3, 393.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
8GY
Formula
C21 H23 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8GY in 2 structures; the first of them:

  • 5UOX · Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart… · 8GY A1000 · binds LEU686, GLY687, LYS688, GLY689, VAL694, ALA707, LYS709, VAL738 and 12 more
  • 5UOX · Structure-based design of ASK1 inhibitors as potential first-in-class agents for heart… · 8GY A1000 · binds LEU686, GLY687, LYS688, GLY689, VAL694, ALA707, LYS709, VAL738 and 11 more

Residues it binds most

GLY 4, VAL 4, ASP 4, LEU 4, LYS 4, ALA 4, ASN 4, GLN 4, GLU 4, MET 4 (residue and the binding sites it lines).

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