Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01724829
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 |
ESX | BENZO[B]THIOPHENE-2-CARBOXAMIDINE | A | 1C5S | 0.76 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1JK3 | 0.71 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1MMB | 0.71 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 2RJQ | 0.71 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1RM8 | 0.71 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 2J83 | 0.71 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 1DTH | 0.71 | |
AL5 | THIOPHENE-2,5-DISULFONIC ACID 2- AMIDE-5-(4-METHYL-BENZYLAMIDE) | A | 1BN1 | 0.72 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.75 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.75 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.75 | |
BZB | BENZO[B]THIOPHENE-2-BORONIC ACID | A,B | 3FKV | 0.71 | |
BZB | BENZO[B]THIOPHENE-2-BORONIC ACID | A,B | 1C3B | 0.71 | |
VA1 | {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN- 2-YL}BORONIC ACID | A,B | 2I72 | 0.83 | |
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 |