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Ligand · JN8

JN8 · cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

JN8, cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (C22 H27 N3 O4 S2, 461.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
JN8
Formula
C22 H27 N3 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JN8 in 2 structures; the first of them:

  • 3SL6 · Crystal structure of the catalytic domain of PDE4D2 with compound 12c · JN8 A440 · binds TYR159, MET273, ASP318, LEU319, ASN321, PRO322, TYR329, TRP332 and 9 more
  • 3SL6 · Crystal structure of the catalytic domain of PDE4D2 with compound 12C · JN8 A440 · binds TYR159, MET273, ASP318, LEU319, ASN321, PRO322, TYR329, TRP332 and 9 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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