Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03063123
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 |  |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.76 | |
| SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.76 | |
| SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.76 | |
C2D | 6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN- 3-YL)METHYL]AMINO}ETHYL)-3-[(2- PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN- 2-OL | H,I | 2BXT | 0.7 | |
MTS | (4S-TRANS)-4-(METHYLAMINO)-5,6- DIHYDRO-6-METHYL-4H-THIENO(2,3- B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE | A | 1CIN | 0.73 | |
ESX | BENZO[B]THIOPHENE-2-CARBOXAMIDINE | A | 1C5S | 0.75 | |
ETS | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO- 6-METHYL-4H-THIENO(2,3-B)THIOPYRAN- 2-SULFONAMIDE-7,7-DIOXIDE | A | 1CIL | 0.73 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2G72 | 0.7 | |
| F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2OPB | 0.7 | |
ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | H,I | 1C5N | 0.74 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | A | 1C5R | 0.74 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | A | 1C5Q | 0.74 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | B | 1O5B | 0.74 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | B | 1C5X | 0.74 | |
| ESI | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE | B | 1C5W | 0.74 | |