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Ligand · GCC

GCC · [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone

GCC, [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone (C26 H30 N6 O2, 458.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
GCC
Formula
C26 H30 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

GCC in 2 structures; the first of them:

  • 7CP4 · Crystal Structure of PAK4 in complex with inhibitor 55 · GCC A601 · binds ILE327, GLY328, GLU329, VAL335, ALA348, LYS350, GLU366, MET370 and 13 more
  • 7CP4 · Crystal structure of PAK4 in complex with inhibitor 55 · GCC A601 · binds GLY328, GLU329, VAL335, ALA348, GLU366, VAL379, MET381, VAL393 and 9 more

Residues it binds most

GLU 2, VAL 2, MET 2, ASP 2, LEU 2, PHE 2, GLY 2, ALA 2, SER 2, ILE 1 (residue and the binding sites it lines).

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