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Ligand · 6PM

6PM · 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole

6PM, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole (C17 H20 N4 O, 296.4 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
6PM
Formula
C17 H20 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

6PM in 2 structures; the first of them:

  • 5K0G · Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]… · 6PM A302 · binds MET40, GLY66, ALA67, TYR68, MET89, GLU90, ILE91, GLY117 and 7 more
  • 5K0G · Crystal structure of comt in complex with 4-[5-[1-(4-methoxyphenyl)… · 6PM A302 · binds MET40, GLY66, ALA67, TYR68, MET89, GLU90, ILE91, GLY117 and 7 more

Residues it binds most

ALA 4, GLY 4, MET 4, TRP 4, ARG 4, GLN 4, GLU 4, HIS 4, ILE 4, SER 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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