From: BLAST-based structural annotation of protein residues using Protein Data Bank
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 |