Compound | Target protein | Affinity (kcal/mol) |
---|---|---|
Rebamipide | NLRP3 and NEK7 complex [PDB: 6 NPY] | −10.5 |
NLRP3 and NEK7 complex [PDB: 8SXN] | −8.4 | |
Full-length NLRP3 [Alphafold Model: AF-Q96P20-F1-v4] | −5.5 | |
Full-length ASC [Alphafold Model: AF-Q9ULZ3-F1-v4] | −4.8 | |
NALP3 PYD domain [PDB: 3QF2] | −4.8 | |
ASC CARD domain [PDB: 5H8O] (chain A deletion) | −4.2 |