GL1X · GenesisL1 explorer

Ligand · R4H

R4H · 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one

R4H, 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one (C27 H34 N6 O3, 490.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
R4H
Formula
C27 H34 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

R4H in 2 structures; the first of them:

  • 7A8Q · Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-654 · R4H B508 · binds TYR159, HIS160, MET273, LEU319, ASN321, TYR329, TRP332, THR333 and 7 more
  • 7A8Q · Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor npd-654 · R4H B508 · binds TYR159, HIS160, MET273, LEU319, ASN321, TYR329, TRP332, THR333 and 7 more

Residues it binds most

TYR 6, MET 6, PHE 6, ILE 6, ASN 6, GLN 6, GLY 6, HIS 6, LEU 6, SER 6 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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