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PocketVina Atlas

EGFR

Epidermal growth factor receptor

UniProt P00533AlphaFold AF-P00533-F1Gene ID 1956

UniProt family
Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamily
HGNC groups
Erb-b2 receptor tyrosine kinases
Synonyms
ERBB, ERBB1, ERRP, HER1
UniProt entry
EGFR_HUMAN
Model
1,210 aa · mean pLDDT 75.9 · membrane · 57 P2Rank pockets, top 5 docked
Docked
2,554 compounds · 1,822 highest-affinity poses PoseBusters-valid · 512 not checked (PoseBusters not run) · 41 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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