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Ligand · 8IN

8IN · [3-(1-benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-propyl-]-phosphonic acid

8IN, [3-(1-benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-propyl-]-phosphonic acid (C21 H25 N2 O5 P, 416.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
8IN
Formula
C21 H25 N2 O5 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

8IN in 2 structures; the first of them:

  • 1DB4 · Human S-PLA2 in complex with indole 8 · 8IN A200 · binds LEU2, PHE5, HIS6, ALA17, ALA18, TYR21, GLY22, HIS27 and 11 more
  • 1DB4 · Human S-PLA2 in complex with indole 8 · 8IN A200 · binds LEU2, PHE5, HIS6, ALA17, ALA18, TYR21, GLY22, HIS27 and 11 more

Residues it binds most

GLY 2, HIS 2, ALA 2, CYS 2, LYS 2, PHE 2, TYR 2, ASP 2, LEU 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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