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Ligand · JWX

JWX · (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine

JWX, (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine (C22 H22 N2, 314.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
JWX
Formula
C22 H22 N2
Class
ligand
Structures
4
PDB entries
2

Binding sites

JWX in 4 structures; the first of them:

  • 7RZC · Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor · JWX A501 · binds LYS157, LEU162, GLY163, ASP164, GLU167, MET208, PRO247, PRO248 and 5 more
  • 7SQE · Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor · JWX A501 · binds LYS157, LEU162, GLY163, ASP164, GLU167, MET208, PRO247, PRO248 and 6 more
  • 7RZC · Papain-like protease of SARS cov-2 in complex with JUN9-84-3 inhibitor · JWX A501 · binds LYS157, LEU162, GLY163, ASP164, GLU167, PRO247, PRO248, TYR264 and 2 more
  • 7SQE · Papain-like protease of SARS cov-2, C111S mutant, in complex with JUN9-84-3 inhibitor · JWX A501 · binds LYS157, LEU162, GLY163, ASP164, GLU167, PRO247, PRO248, TYR264 and 4 more

Residues it binds most

TYR 12, PRO 12, THR 11, GLY 12, ASP 12, GLU 12, LEU 12, LYS 11, ASN 10, MET 8 (residue and the binding sites it lines).

Found with

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

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