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Ligand · 8IU

8IU · (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine

8IU, (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine (C18 H21 N5, 307.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
8IU
Formula
C18 H21 N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

8IU in 4 structures; the first of them:

  • 7S8N · CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 · 8IU R401 · binds GLU164, CYS168, PHE170, GLY175, ASP176, SER177, CYS180, ASP184 and 3 more
  • 7S8O · CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 · 8IU R401 · binds GLU164, CYS168, PHE170, ASP176, SER177, CYS180, ASP184, TRP243 and 3 more
  • 7S8N · Cryoem structure of gq-coupled MRGPRX2 with small molecule agonist (R)-zinc-3573 · 8IU R401 · binds GLU164, CYS168, PHE170, ASP176, SER177, CYS180, ASP184, TRP243 and 1 more
  • 7S8O · Cryoem structure of gi-coupled MRGPRX2 with small molecule agonist (R)-zinc-3573 · 8IU R401 · binds GLU164, CYS168, PHE170, ASP176, SER177, CYS180, ASP184, TRP243 and 2 more

Residues it binds most

ASP 4, CYS 4, TRP 4, PHE 4, GLU 4, SER 4, LEU 3, GLY 1 (residue and the binding sites it lines).

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