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Ligand · JKY

JKY · N-[(4-chlorophenyl)methyl]methanesulfonamide

JKY, N-[(4-chlorophenyl)methyl]methanesulfonamide (C8 H10 Cl N O2 S, 219.7 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
JKY
Formula
C8 H10 Cl N O2 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

JKY in 3 structures; the first of them:

  • 5QEU · PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with… · JKY A401 · binds ASP29, PHE30, PRO31
  • 7GSQ · PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with… · JKY A402 · binds ARG43, LEU59, HIS60, GLN61, ASN64, HIS94, GLU97, ASP137 and 1 more
  • 5QEU · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JKY A401 · binds ASP29, PHE30, PRO31

Residues it binds most

ASP 4, PHE 3, PRO 3, HIS 1, ARG 1, ASN 1, GLN 1, GLU 1, LEU 1, THR 1 (residue and the binding sites it lines).

Found with

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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