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Ligand · JK7

JK7 · N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide

JK7, N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide (C15 H17 N O3, 259.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues…

Component
JK7
Formula
C15 H17 N O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

JK7 in 3 structures; the first of them:

  • 5QFQ · PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with… · JK7 A401 · binds GLN61, GLU97, TRP100, GLU101, ASP137, THR138, ASN139, LEU140 and 2 more
  • 5QFQ · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JK7 A401 · binds GLN61, GLU97, TRP100, GLU101, ASP137, THR138, ASN139, LEU140 and 2 more
  • 5QFV · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JK7 A401 · binds GLN61, GLU97, TRP100, GLU101, ASP137, THR138, ASN139, ASN162 and 1 more

Residues it binds most

ASN 3, GLU 3, THR 3, ASP 3, GLN 3, TRP 3, LEU 2 (residue and the binding sites it lines).

Found with

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

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