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Ligand · 3E8

3E8 · 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile

3E8, 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile (C29 H28 N6 O2, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding…

Component
3E8
Formula
C29 H28 N6 O2
Class
ligand
Structures
3
PDB entries
3

Binding sites

3E8 in 3 structures; the first of them:

  • 8AU3 · c-MET Y1234E,Y1235E mutant in complex with Tepotinib · 3E8 A1401 · binds ILE1084, GLY1085, VAL1092, ALA1108, LEU1140, LEU1157, PRO1158, TYR1159 and 14 more
  • 8AU5 · c-MET F1200I mutant in complex with Tepotinib · 3E8 A1401 · binds ILE1084, GLY1085, VAL1092, ALA1108, LEU1140, LEU1157, PRO1158, TYR1159 and 13 more
  • 8AW1 · c-MET Y1235D mutant in complex with Tepotinib · 3E8 A1401 · binds ILE1084, GLY1085, VAL1092, ALA1108, LEU1140, LEU1157, PRO1158, TYR1159 and 14 more

Residues it binds most

ALA 5, ASP 5, ASN 5, GLY 5, LEU 5, MET 5, TYR 5, LYS 5, ARG 5, HIS 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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