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Ligand · PKE

PKE · ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide

PKE, ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide (C20 H21 N7 O3 S, 439.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
PKE
Formula
C20 H21 N7 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

PKE in 2 structures; the first of them:

  • 6YT6 · FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH… · PKE A701 · binds ARG426, ILE428, GLY429, GLU430, GLY431, VAL436, GLN438, ALA452 and 12 more
  • 6YT6 · Focal adhesion kinase catalytic domain in complex with N-methyl-N-(3… · PKE A701 · binds ARG426, ILE428, GLY429, GLU430, GLY431, VAL436, GLN438, ALA452 and 12 more

Residues it binds most

GLY 4, GLU 4, ARG 4, LEU 4, VAL 4, ALA 4, ASP 4, CYS 4, GLN 4, ILE 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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