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Ligand · JEV

JEV · N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide

JEV, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide (C16 H21 N O2, 259.4 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
JEV
Formula
C16 H21 N O2
Class
ligand
Structures
7
PDB entries
5

Binding sites

JEV in 7 structures; the first of them:

  • 6ME9 · XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon · JEV A2201 · binds ALA117, MET120, GLY121, VAL124, ILE125, ASN175, LEU181, THR191 and 8 more
  • 7DB6 · human melatonin receptor MT1 - Gi1 complex · JEV D401 · binds GLY104, MET107, GLY108, VAL111, ILE112, VAL159, LEU163, LEU168 and 11 more
  • 6ME2 · Xfel crystal structure of human melatonin receptor MT1 in complex with ramelteon · JEV A1201 · binds ALA104, MET107, GLY108, ASN162, LEU168, THR178, PHE179, GLN181 and 5 more
  • 6ME9 · Xfel crystal structure of human melatonin receptor MT2 in complex with ramelteon · JEV A2201 · binds ALA117, MET120, GLY121, VAL124, ILE125, ASN175, LEU181, THR191 and 8 more
  • 7DB6 · Human melatonin receptor MT1 - GI1 complex · JEV D401 · binds GLY104, GLY108, VAL111, ILE112, LEU163, PHE179, GLN181, THR188 and 4 more
  • 7VGZ · MT1-remalteon-gi complex · JEV B401 · binds GLY104, GLY108, VAL111, ILE112, ASN162, THR178, PHE179, GLN181 and 6 more
  • 7VH0 · MT2-remalteon-gi complex · JEV A401 · binds ALA117, MET120, GLY121, ILE125, LEU172, THR191, PHE192, VAL204 and 4 more

Residues it binds most

VAL 9, GLY 9, LEU 9, ASN 8, THR 9, PHE 9, GLN 8, ILE 8, MET 7, TYR 5 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CLR · Cholesterol
  • OLA · Oleic acid
  • PEG · Di(hydroxyethyl)ether

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