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Ligand · JN7

JN7 · 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate

JN7, 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate (C22 H24 N2 O5 S2, 460.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
JN7
Formula
C22 H24 N2 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JN7 in 2 structures; the first of them:

  • 3SL8 · Crystal structure of the catalytic domain of PDE4D2 with compound 10o · JN7 A18 · binds TYR159, MET273, ASP318, LEU319, ASN321, PRO322, TYR329, TRP332 and 10 more
  • 3SL8 · Crystal structure of the catalytic domain of PDE4D2 with compound 10O · JN7 A18 · binds TYR159, MET273, ASP318, LEU319, ASN321, PRO322, TYR329, TRP332 and 10 more

Residues it binds most

MET 8, ILE 8, PHE 8, TYR 8, PRO 8, ASN 8, ASP 8, GLN 8, LEU 8, SER 8 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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