Table 1. Binding information of I6CA and TLR4/MD2 complex.
| Molecule | PDB ID | Ligand | PubChem ID | Binding affinity (kcal/mol) | Binding site |
| TLR4 | 3VQ2 | Indole-6-carboxaldehyde | CID 24882323 | −6.2 | O (Lys 132) |
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