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Ligand · 8IX

8IX · N-[(1R,3R,5S,7R)-3,5-dimethyltricyclo[3.3.1.1~3, 7~]decane-1-carbonyl]-D-phenylalanine

8IX, N-[(1R,3R,5S,7R)-3,5-dimethyltricyclo[3.3.1.1~3, 7~]decane-1-carbonyl]-D-phenylalanine (C22 H29 N O3, 355.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
8IX
Formula
C22 H29 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8IX in 2 structures; the first of them:

  • 7S8P · CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 · 8IX R401 · binds PHE78, ARG82, ARG95, LYS96, LEU98, VAL99, MET102, TRP158 and 3 more
  • 7S8P · Cryoem structure of gq-coupled MRGPRX4 with small molecule agonist MS47134 · 8IX R401 · binds ARG82, ARG95, LYS96, LEU98, VAL99, TRP158, TYR250, TYR254

Residues it binds most

ARG 2, TYR 2, LEU 2, LYS 2, TRP 2, VAL 2, ILE 1, MET 1, PHE 1 (residue and the binding sites it lines).

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