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Ligand · 85X

85X · 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole

85X, 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole (C24 H18 N4 O, 378.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
85X
Formula
C24 H18 N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

85X in 4 structures; the first of them:

  • 5XGM · Crystal structure of EGFR 696-1022 T790M in complex with Go6976 · 85X A1101 · binds LEU718, VAL726, ALA743, LYS745, GLN791, MET793, PRO794, GLY796 and 1 more
  • 5XGN · Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976 · 85X A1101 · binds LEU718, PHE723, VAL726, ALA743, LYS745, MET790, GLN791, LEU792 and 8 more
  • 5XGM · Crystal structure of EGFR 696-1022 T790M in complex with GO6976 · 85X A1101 · binds LEU718, VAL726, ALA743, LYS745, GLN791, MET793, PRO794, GLY796 and 1 more
  • 5XGN · Crystal structure of EGFR 696-1022 T790M/C797S in complex with GO6976 · 85X A1101 · binds LEU718, PHE723, ALA743, MET790, GLN791, LEU792, MET793, GLY796 and 3 more

Residues it binds most

LEU 4, MET 4, ALA 4, GLN 4, GLY 4, LYS 3, PHE 2, PRO 3, VAL 3, ASP 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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