Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01238793
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 |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.78 |  |
XMI | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQK | 0.72 | |
CQP | (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN- 2-YLMETHANESULFONYL)ISOQUINOLINE | A | 2C1B | 0.72 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.75 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.73 | |
CKI | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE- 8-SULFONAMIDE | A | 2CSN | 0.78 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.75 | |
XMB | 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]- 1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]- THIOMORPHOLINE-1,1-DIOXIDE | A | 1IQE | 0.76 | |
XMK | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | A | 1IQM | 0.71 | |
736 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN- 4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2- B]PYRIDINE | B | 2BED | 0.74 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.71 | |
ZEN | T | 1J17 | 0.72 | | |
| ZEN | A | 1QL9 | 0.72 | | |
| ZEN | T | 1V2K | 0.72 | | |
| ZEN | A | 1QL8 | 0.72 | | |
| ZEN | A | 1QL7 | 0.72 | | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.73 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.73 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.73 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.73 | |
IQB | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | E | 1YDT | 0.72 | |
| IQB | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | A | 3FMD | 0.72 | |
XME | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]- 1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)- 4-PIPERIDINYL]METHYL]PIPERAZINONE | A | 1IQG | 0.71 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 1Q8U | 0.73 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A,B | 3D9V | 0.73 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNH | 0.73 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNL | 0.73 | |
I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDO | 0.72 | |
| I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDT | 0.72 | |
| I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2C1A | 0.72 | |