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Ligand · P88

P88 · 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid

P88, 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid (C31 H28 N2 O4, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
P88
Formula
C31 H28 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

P88 in 2 structures; the first of them:

  • 3P88 · FXR bound to isoquinolinecarboxylic acid · P88 A1 · binds MET265, THR270, ILE273, PHE284, LEU287, THR288, MET290, ALA291 and 19 more
  • 3P88 · Fxr bound to isoquinolinecarboxylic acid · P88 A1 · binds MET265, THR270, ILE273, PHE284, LEU287, THR288, MET290, ALA291 and 19 more

Residues it binds most

ILE 2, MET 2, LEU 2, PHE 2, HIS 2, SER 2, THR 2, TRP 2, ALA 2, ARG 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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