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Ligand · 6OZ

6OZ · 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole

6OZ, 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole (C17 H19 N3 S, 297.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
6OZ
Formula
C17 H19 N3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

6OZ in 4 structures; the first of them:

  • 5K0C · Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyraz… · 6OZ A304 · binds MET40, GLY66, ALA67, TYR68, MET89, GLU90, ILE91, GLY117 and 7 more
  • 5K0E · Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyraz… · 6OZ A304 · binds GLY66, ALA67, TYR68, MET89, GLU90, ILE91, GLY117, ALA118 and 6 more
  • 5K0C · Crystal structure of comt in complex with 2,4-dimethyl-5-[3-(2… · 6OZ A304 · binds MET40, GLY66, ALA67, TYR68, MET89, GLU90, ILE91, GLY117 and 7 more
  • 5K0E · Crystal structure of comt in complex with 2,4-dimethyl-5-[3-(2… · 6OZ A304 · binds GLY66, ALA67, TYR68, MET89, GLU90, ILE91, GLY117, ALA118 and 6 more

Residues it binds most

ALA 6, GLY 6, MET 6, ARG 6, ASP 6, GLN 6, GLU 6, HIS 6, ILE 6, SER 6 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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