Table 1.
Parameters | Compound Identifier | |
---|---|---|
Kushennol F | Sophoraflavanone G | |
ANN | PRD | -- |
pIC50 | 6.8 | -- |
REF_NN | FVNFXIPJDHVJGE-REZTVBANSA-N | -- |
SIM | 0.841 | 0.838 |
REF_pACT | 6.77 | -- |
SOURCE_DB | ChemblDB, PubChem, Binding DB | -- |
UNIPROT | P43235 | -- |
TARGET NAME | Cathepsin K | -- |
FUNCTIONAL | EC, FD, PS | -- |
--: same as left; ANN: Annotation type; PRD (prediction); pIC50: predicted value for −log10 of IC50; REF_NN: Reference compound (neighbouring compound) identifier; SIM: Similarity (or identity) to the reference compound; REF_pACT: Reference compound experimental pActivity value; SOURCE_DB: Original Database(s) reporting this REF_NN-protein annotation. UNIPROT: protein UNIPROT code; FUNICTIONAL: protein Function family, the details of brief name listed in Table S4. TARGET_NAME: Protein Full Name. DB: Database; EC: Enzymes; FD: Chaperones and folding catalysts; PS: Peptidases.