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Ligand · GJ7

GJ7 · 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide

GJ7, 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide (C26 H26 N4 O4, 458.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
GJ7
Formula
C26 H26 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

GJ7 in 2 structures; the first of them:

  • 6DI5 · Crystal structure of btk in complex with covalent inhibitor · GJ7 A701 · binds LEU408, GLY409, VAL416, ALA428, LYS430, MET449, ILE472, THR474 and 11 more
  • 6DI5 · Crystal structure of btk in complex with covalent inhibitor · GJ7 A701 · binds LEU408, VAL416, ALA428, LYS430, MET449, THR474, GLU475, TYR476 and 7 more

Residues it binds most

LEU 2, MET 2, ALA 2, ARG 2, ASP 2, CYS 2, GLU 2, LYS 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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