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Ligand · 7DE

7DE · 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester

7DE, 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester (C14 H15 N3 O4, 289.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
7DE
Formula
C14 H15 N3 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

7DE in 4 structures; the first of them:

  • 1Y2J · Catalytic Domain Of Human Phosphodiesterase 4B In Complex With… · 7DE A101 · binds TYR233, HIS234, THR345, MET347, ASP392, LEU393, ASN395, TYR403 and 7 more
  • 1Y2K · Catalytic Domain Of Human Phosphodiesterase 4D In Complex With… · 7DE A602 · binds TYR159, HIS160, THR271, MET273, ASP318, LEU319, ASN321, TYR329 and 7 more
  • 1Y2J · Catalytic domain of human phosphodiesterase 4B in complex with 3,5… · 7DE A101 · binds TYR233, HIS234, THR345, MET347, ASP392, LEU393, ASN395, TYR403 and 7 more
  • 1Y2K · Catalytic domain of human phosphodiesterase 4D in complex with 3,5… · 7DE A602 · binds TYR159, HIS160, THR271, MET273, ASP318, LEU319, ASN321, TYR329 and 7 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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