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Ligand · KWE

KWE · 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2, 5-dione

KWE, 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2, 5-dione (C28 H28 N2 O2, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
KWE
Formula
C28 H28 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

KWE in 2 structures; the first of them:

  • 6S5K · LXRbeta ligand binding domain in complex with small molecule inhibitors · KWE A501 · binds PHE243, PHE268, PHE271, THR272, LEU274, ALA275, SER278, ILE309 and 19 more
  • 6S5K · Lxrbeta ligand binding domain in complex with small molecule inhibitors · KWE A501 · binds PHE243, PHE268, PHE271, THR272, LEU274, ALA275, SER278, ILE309 and 17 more

Residues it binds most

PHE 2, LEU 2, ALA 2, ILE 2, THR 2, ARG 2, GLN 2, GLU 2, GLY 2, HIS 2 (residue and the binding sites it lines).

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