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Ligand · E94

E94 · 4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile

E94, 4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile (C28 H27 Cl N6 O S, 531.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
E94
Formula
C28 H27 Cl N6 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

E94 in 2 structures; the first of them:

  • 4FV7 · Crystal Structure of the ERK2 complexed with E94 · E94 A401 · binds ILE29, GLY30, GLU31, GLY32, VAL37, ALA50, ILE51, LYS52 and 16 more
  • 4FV7 · Crystal structure of the ERK2 complexed with E94 · E94 A401 · binds ILE29, GLY30, GLU31, GLY32, VAL37, ALA50, ILE51, LYS52 and 16 more

Residues it binds most

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

Found with

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

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