Carprofen
Summary
- Atlas ligand ID
PVL01135- ChEMBL
- CHEMBL1316
- Status
- approved (max phase 4)
- InChIKey
- PUXBGTOOZJQSKH-UHFFFAOYSA-N
- Docked SMILES
- CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
- Synonyms
- Carprofen, Carprofen for veterinary use, Rimadyl
- Vendor catalogue
- Selleck S4136
Proteins
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.
0 of 0
Downloads
- Protein tablethe proteins with the highest affinity: affinity, pocket, mode, PoseBusters, ChEMBL evidence (gzip JSON)Download
- Protein table, all proteinsevery docked protein (gzip JSON)Download
- 2D structuredrawn from the docked SMILESDownload SVG
Poses of a pair are on its protein page (Downloads), or select pairs in the table and download them together.