Users can search for library compounds designed to inhibit various PPI targets. There are three types of search functions including search by keywords, chemical structure (SMILES or SMARTS), and chemical drawing.
The keyword search option allows users to filter compounds by Compound ID (DLiP-ID), PPI Type (type of 3D structure or motif of PPI interface), PDB ID of PPI complex structure used for docking calculation, Protein Name Receptor (protein name of receptor in PPI), ELM ID (eukaryotic linear motifs: ELM) and ELM motif sequence of PPI target.
The Chemical Draw function allows users to draw any chemical structures and then find similar PPI library compounds. The collection of images of ring structures frequently found in our PPI library is shown as a reference for searching.
| DLiP-ID | Mol Image | MW | ALogP | Num H Acceptors | Num H Donors | PSA | nRotatableBonds | PPI Type | PDB ID | Receptor Chain | Protein Name Receptor | ELM ID | Motif Sequence | fCsp3 | Activity Value | Similarity |
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