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PocketVina Atlas

ABL1

Tyrosine-protein kinase ABL1

UniProt P00519AlphaFold AF-P00519-F1Gene ID 25

UniProt family
Protein kinase superfamily, Tyr protein kinase family, ABL subfamily
HGNC groups
SH2 domain containing · Abl family tyrosine kinases · SH3 domain containing
Synonyms
ABL, JTK7, c-ABL, p150
UniProt entry
ABL1_HUMAN
Model
1,130 aa · mean pLDDT 63.4 · membrane · 44 P2Rank pockets, top 5 docked
Docked
2,554 compounds · 1,822 highest-affinity poses PoseBusters-valid · 512 not checked (PoseBusters not run) · 73 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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