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Ligand · J25

J25 · diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate

J25, diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate (C19 H22 N2 O5 S2, 422.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
J25
Formula
C19 H22 N2 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

J25 in 2 structures; the first of them:

  • 3SL5 · Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d · J25 A1 · binds TYR159, MET273, ASP318, LEU319, ASN321, PRO322, TYR329, TRP332 and 9 more
  • 3SL5 · Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10D · J25 A1 · binds TYR159, MET273, ASP318, LEU319, ASN321, PRO322, TYR329, TRP332 and 9 more

Residues it binds most

MET 8, ILE 8, PHE 8, TYR 8, SER 8, ASN 8, ASP 8, GLN 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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