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Ligand · 9E4

9E4 · 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2, 4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide

9E4, 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2, 4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide (C20 H22 N6 O3, 394.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
9E4
Formula
C20 H22 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

9E4 in 2 structures; the first of them:

  • 5VIO · Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) · 9E4 A4000 · binds LEU686, GLY687, LYS688, GLY689, VAL694, ALA707, LYS709, VAL738 and 14 more
  • 5VIO · Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) · 9E4 A4000 · binds LEU686, GLY687, LYS688, GLY689, VAL694, ALA707, LYS709, VAL738 and 11 more

Residues it binds most

GLY 6, VAL 6, ASP 6, LEU 6, LYS 6, SER 6, ALA 6, GLN 6, GLU 6, MET 6 (residue and the binding sites it lines).

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