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Ligand · EK9

EK9 · N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide

EK9, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide (C24 H22 N4 O2, 398.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
EK9
Formula
C24 H22 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

EK9 in 2 structures; the first of them:

  • 4FV5 · Crystal Structure of the ERK2 complexed with EK9 · EK9 A401 · binds ILE29, GLU31, GLY32, ALA33, TYR34, GLY35, MET36, VAL37 and 17 more
  • 4FV5 · Crystal structure of the ERK2 complexed with EK9 · EK9 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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