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Ligand · 6PQ

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

6PQ, 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole (C16 H17 N3 O S, 299.4 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
6PQ
Formula
C16 H17 N3 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

6PQ in 2 structures; the first of them:

  • 5K09 · Crystal Structure of COMT in complex with a thiazole ligand · 6PQ A301 · binds GLY66, ALA67, MET89, GLU90, ILE91, GLY117, ALA118, SER119 and 11 more
  • 5K09 · Crystal structure of comt in complex with a thiazole ligand · 6PQ A301 · binds GLY66, ALA67, MET89, GLU90, ILE91, GLY117, ALA118, SER119 and 11 more

Residues it binds most

ALA 48, ASP 48, GLY 48, MET 48, TYR 48, ARG 48, GLN 48, GLU 48, HIS 48, ILE 48 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • PO4 · Phosphate ion

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