Table 2.

Brief description of interacting ligands in PDB chain

Ligand code	Ligand formula	Ligand MW	Ligand name	Ligand SMILES
BLA	C33 H34 N4 O6	582.65	Biliverdine IX alpha	Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
BO3	B H3 O3	61.83	Boric acid	B(O)(O)O
BOG	C14 H28 O6	292.37	B-Octylglucoside	CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CYC	C33 H40 N4 O6	588.69	Phycocyanobilin	CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
MAL	C12 H22 O11	342.30	Maltose	C([C@@H]1[C@H]([C@@H]([C@H](C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
MLR	C18 H32 O16	504.44	Maltotriose	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O