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Ligand · 6P0

6P0 · 5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole

6P0, 5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole (C18 H20 N4 O, 308.4 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
6P0
Formula
C18 H20 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

6P0 in 2 structures; the first of them:

  • 5K0N · Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol… · 6P0 A304 · binds MET40, ASN41, GLY66, ALA67, TYR68, MET89, GLU90, ILE91 and 9 more
  • 5K0N · Crystal structure of comt in complex with 4-[5-[1-(4-methoxyphenyl)… · 6P0 A304 · binds MET40, ASN41, GLY66, ALA67, TYR68, MET89, GLU90, ILE91 and 9 more

Residues it binds most

MET 8, GLY 8, ALA 8, ARG 8, ASN 8, ASP 8, GLN 8, GLU 8, HIS 8, ILE 8 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • MG · Magnesium ion
  • EDO · 1,2-ethanediol
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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