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Ligand · 6P1

6P1 · 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole

6P1, 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole (C17 H19 N3 O S, 313.4 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…

Component
6P1
Formula
C17 H19 N3 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

6P1 in 2 structures; the first of them:

  • 5K0F · Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]… · 6P1 A302 · binds MET40, GLY66, ALA67, TYR68, MET89, GLU90, ILE91, GLY117 and 7 more
  • 5K0F · Crystal structure of comt in complex with 5-[5-[1-(4-methoxyphenyl)… · 6P1 A302 · binds MET40, GLY66, ALA67, TYR68, MET89, GLU90, ILE91, GLY117 and 7 more

Residues it binds most

ALA 4, GLY 4, MET 4, ARG 4, ASP 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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