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Ligand · T8R

T8R · 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one

T8R, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one (C22 H21 N O4, 363.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
T8R
Formula
C22 H21 N O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

T8R in 2 structures; the first of them:

  • 8C3O · Crystal structure of autotaxin gamma and compound MEY-003 · T8R A902 · binds ILE168, PHE211, LEU214, TYR215, LEU217, ALA218, TRP255, LEU260 and 8 more
  • 8C7R · Crystal structure of rat autotaxin and compound MEY-003 · T8R A901 · binds ILE167, SER169, PHE210, LEU213, TYR214, LEU216, ALA217, LEU243 and 10 more

Residues it binds most

LEU 3, PHE 3, TRP 3, TYR 3, ALA 3, ILE 3, MET 3, VAL 3, ARG 2, SER 1 (residue and the binding sites it lines).

Found with

  • 5JK · 7alpha-hydroxycholesterol
  • CA · Calcium ion
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • IOD · Iodide ion
  • BMA · beta-D-mannopyranose
  • GOL · Glycerol

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