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Ligand · 4DE

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

4DE, 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester (C15 H18 N2 O3, 274.3 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…

Component
4DE
Formula
C15 H18 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4DE in 2 structures; the first of them:

  • 1Y2D · Catalytic Domain Of Human Phosphodiesterase 4D In Complex With… · 4DE A601 · binds TYR159, MET273, ASN321, TYR329, TRP332, THR333, ILE336, PHE340 and 3 more
  • 1Y2D · Catalytic domain of human phosphodiesterase 4D in complex with 1-(4… · 4DE A601 · binds TYR159, MET273, ASN321, TYR329, TRP332, THR333, ILE336, PHE340 and 3 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol
  • EDO · 1,2-ethanediol

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