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Ligand · U9I

U9I · methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate

U9I, methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate (C19 H25 Cl2 N3 O3, 414.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its…

Component
U9I
Formula
C19 H25 Cl2 N3 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

U9I in 2 structures; the first of them:

  • 8DZR · GR89,696 bound Kappa Opioid Receptor in complex with gustducin · U9I A401 · binds VAL108, THR111, PHE114, GLN115, VAL134, LEU135, ASP138, TYR139 and 10 more
  • 8DZS · GR89,696 bound Kappa Opioid Receptor in complex with Gz · U9I A501 · binds THR111, PHE114, GLN115, TRP124, VAL134, ASP138, TYR139, MET142 and 8 more

Residues it binds most

ILE 2, TYR 2, VAL 2, TRP 2, ASP 2, GLN 2, HIS 2, MET 2, PHE 2, THR 2 (residue and the binding sites it lines).

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