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Ligand · E28

E28 · 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide

E28, 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide (C25 H22 F3 N5 O2, 481.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
E28
Formula
C25 H22 F3 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

E28 in 2 structures; the first of them:

  • 4G6O · Crystal Structure of the ERK2 · E28 A401 · binds ILE29, GLY30, GLU31, TYR34, GLY35, MET36, VAL37, ALA50 and 12 more
  • 4G6O · Crystal structure of the ERK2 · E28 A401 · binds ILE29, GLY30, GLU31, TYR34, GLY35, MET36, VAL37, ALA50 and 12 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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