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Ligand · E86

E86 · 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide

E86, 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide (C24 H22 Cl N5 O2, 447.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
E86
Formula
C24 H22 Cl N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

E86 in 2 structures; the first of them:

  • 3I60 · Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)… · E86 A401 · binds ILE29, GLU31, GLY32, ALA33, TYR34, GLY35, MET36, VAL37 and 17 more
  • 3I60 · Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5… · E86 A401 · binds ILE29, GLU31, GLY32, ALA33, TYR34, GLY35, MET36, VAL37 and 17 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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