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PocketVina Atlas

PTGS2

Prostaglandin G/H synthase 2

UniProt P35354AlphaFold AF-P35354-F1Gene ID 5743

UniProt family
Prostaglandin G/H synthase family
HGNC groups
Prostaglandin-endoperoxide synthase family
Synonyms
COX2
UniProt entry
PGH2_HUMAN
Model
604 aa · mean pLDDT 93.0 · membrane · 35 P2Rank pockets, top 5 docked
Docked
2,556 compounds · 1,780 highest-affinity poses PoseBusters-valid · 512 not checked (PoseBusters not run) · 64 known in ChEMBL

Structure

Compounds

How to read the scores
  • Vina scores are docking scores in kcal/mol, not measured affinities. More negative is better.
  • Large ligands get better scores almost everywhere. Compare a drug with other drugs on the same protein (rank), and a protein with other proteins for the same drug.
  • PoseBusters checked only the highest-affinity pose of each pair. A timeout or a PoseBusters error means not checked, not failed.
  • No ChEMBL evidence does not mean no binding; most pairs were never tested.
  • Some salt entries were docked as their counter-ion, a solvent or a product component, not as the drug. Their rows say what was docked and keep their scores and poses; the desalted form of such a salt (<catalogue number>-desalted) is listed on the drug's page.
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