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Ligand · JW9

JW9 · 4-({methyl[(1r)-1-(naphthalen-1-yl)ethyl]amino}methyl) phenol

JW9, 4-({methyl[(1r)-1-(naphthalen-1-yl)ethyl]amino}methyl) phenol (C20 H21 N O, 291.4 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
JW9
Formula
C20 H21 N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

JW9 in 2 structures; the first of them:

  • 7SDR · Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor · JW9 A501 · binds LYS157, LEU162, GLY163, ASP164, GLU167, MET208, PRO247, PRO248 and 5 more
  • 7SDR · Papain-like protease of SARS cov-2 in complex with JUN9-72-2 inhibitor · JW9 A501 · binds LYS157, LEU162, GLY163, ASP164, GLU167, MET208, PRO247, PRO248 and 5 more

Residues it binds most

TYR 6, PRO 6, THR 6, GLY 6, MET 6, ASN 6, ASP 6, GLU 6, LEU 6, LYS 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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