Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02295673
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
|---|---|---|---|---|---|
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
VA1 | {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN- 2-YL}BORONIC ACID | A,B | 2I72 | 0.77 |  |
ESX | BENZO[B]THIOPHENE-2-CARBOXAMIDINE | A | 1C5S | 0.74 | |
ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | H,I | 1C5N | 0.72 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | A | 1C5R | 0.72 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | A | 1C5Q | 0.72 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | B | 1O5B | 0.72 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | B | 1C5X | 0.72 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | B | 1C5W | 0.72 | |
SM4 | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 0.72 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.77 | |
| SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.77 | |
| SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.77 | |