Table 1 Details of the selected MUV dataset
From: End-to-end learning for compound activity prediction based on binding pocket information
MUV ID | PDB ID | Description | Ligand | Assay type |
|---|---|---|---|---|
600 | 1yow | Steroidogenic factor 1: inhibitors | P0E | Cell |
692 | 1yow | Steroidogenic factor 1: agonists | P0E | Cell |
859 | 5cxv | Muscarinic receptor M1 | 0HK | Cell |
852 | 4xe4 | Factor XIIa | NAG | Biochemical |
548 | 3poo | Protein kinase A | S69 | Biochemical |
832 | 1au8 | Cathepsin G | 0H8 | Biochemical |
689 | 2y6o | Ephrin receptor A4 | 1N1 | Biochemical |
846 | 5exm | Factor XIa | 5ST | Biochemical |
466 | 3v2y | Sphingosine 1-phosphate receptor | ML5 | Cell |