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Ligand · E57

E57 · N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide

E57, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide (C22 H26 Cl N5 O3, 443.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
E57
Formula
C22 H26 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

E57 in 2 structures; the first of them:

  • 4FV6 · Crystal Structure of the ERK2 complexed with E57 · E57 A401 · binds ILE29, GLU31, GLY32, ALA33, TYR34, GLY35, MET36, VAL37 and 17 more
  • 4FV6 · Crystal structure of the ERK2 complexed with E57 · E57 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
  • EDO · 1,2-ethanediol

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