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Ligand · JN4

JN4 · ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

JN4, ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (C21 H21 N3 O4 S, 411.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
JN4
Formula
C21 H21 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JN4 in 2 structures; the first of them:

  • 3SL4 · Crystal structure of the catalytic domain of PDE4D2 with compound 10D · JN4 A23 · binds TYR159, MET273, ASP318, LEU319, ASN321, PRO322, TYR329, TRP332 and 8 more
  • 3SL4 · Crystal structure of the catalytic domain of PDE4D2 with compound 10D · JN4 A23 · binds TYR159, MET273, ASP318, LEU319, ASN321, PRO322, TYR329, TRP332 and 8 more

Residues it binds most

MET 8, PHE 8, TYR 8, ILE 8, ASN 8, ASP 8, GLN 8, LEU 8, PRO 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
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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