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Ligand · GKK

GKK · 2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile

GKK, 2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile (C20 H19 Cl F3 N3, 393.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
GKK
Formula
C20 H19 Cl F3 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

GKK in 2 structures; the first of them:

  • 3HQ5 · Progesterone Receptor bound to an Alkylpyrrolidine ligand. · GKK A934 · binds LEU715, LEU718, ASN719, LEU721, GLY722, GLN725, TRP755, MET756 and 15 more
  • 3HQ5 · Progesterone receptor bound to an alkylpyrrolidine ligand. · GKK A934 · binds LEU715, LEU718, ASN719, LEU721, GLY722, GLN725, TRP755, MET756 and 15 more

Residues it binds most

LEU 4, MET 4, PHE 4, CYS 4, ARG 4, ASN 4, GLN 4, GLY 4, THR 4, TRP 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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