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Ligand · 3DE

3DE · 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester

3DE, 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester (C14 H17 N2 O2 +1, 245.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
3DE
Formula
C14 H17 N2 O2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

3DE in 2 structures; the first of them:

  • 1Y2C · Catalytic Domain Of Human Phosphodiesterase 4D In Complex With… · 3DE A1003 · binds TYR159, HIS160, MET273, ASP318, LEU319, ASN321, TYR329, TRP332 and 6 more
  • 1Y2C · Catalytic domain of human phosphodiesterase 4D in complex with 3,5… · 3DE A1003 · binds TYR159, HIS160, MET273, ASP318, LEU319, ASN321, TYR329, TRP332 and 6 more

Residues it binds most

MET 4, PHE 4, TYR 4, ASN 4, ASP 4, GLN 4, HIS 4, ILE 4, LEU 4, THR 4 (residue and the binding sites it lines).

Found with

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

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