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Ligand · YNJ

YNJ · 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid

YNJ, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid (C25 H34 Cl2 O4, 469.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
YNJ
Formula
C25 H34 Cl2 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

YNJ in 4 structures; the first of them:

  • 7M17 · SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) · YNJ C902 · binds ARG103, ARG103, ARG103, ARG103, ARG103, ASP102, ARG103
  • 7M19 · SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2) · YNJ C902 · binds ARG103, ARG103, ASP102, ARG103, LEU101, ASP102, ARG103, ARG103 and 1 more
  • 7M17 · Sn-407-LRRC8A in MSP1E3D1 lipid nanodiscs (pose-1) · YNJ C902 · binds ARG103, ARG103, ARG103, ARG103, ARG103, ARG103
  • 7M19 · Sn-407-LRRC8A in MSP1E3D1 lipid nanodiscs (pose-2) · YNJ C902 · binds ARG103, ASP102, ARG103, LEU101, ARG103, ARG103, ARG103

Residues it binds most

ARG 4, ASP 3, LEU 2 (residue and the binding sites it lines).

Found with

  • PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine

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