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Ligand · CD9

CD9 · 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid

CD9, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid (C17 H12 Cl N O5, 345.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
CD9
Formula
C17 H12 Cl N O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

CD9 in 2 structures; the first of them:

  • 3NF9 · Structural basis for a new mechanism of inhibition of HIV integrase identified by… · CD9 A220 · binds GLN62, VAL77, VAL79, SER81, GLY82, VAL150, ILE151, SER153 and 3 more
  • 3NF9 · Structural basis for a new mechanism of inhibition of HIV integrase identified by… · CD9 A220 · binds GLN62, VAL77, VAL79, SER81, GLY82, VAL150, ILE151, SER153 and 3 more

Residues it binds most

VAL 4, SER 4, GLN 4, GLU 4, GLY 4, HIS 4, ILE 4, MET 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACY · Acetic acid
  • EDO · 1,2-ethanediol

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