Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010799
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 |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.71 |  |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.71 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.71 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.7 | |
D4G | A,B,C,D | 2FDY | 0.74 | | |
IMB | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1R | 0.73 | |
CMW | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.72 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.81 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 1Q8U | 0.82 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A,B | 3D9V | 0.82 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNH | 0.82 | |
| H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNL | 0.82 | |
I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDO | 0.71 | |
| I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDT | 0.71 | |
| I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2C1A | 0.71 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.79 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.74 | |
IQB | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | E | 1YDT | 0.82 | |
| IQB | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | A | 3FMD | 0.82 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.86 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.76 | |
255 | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.71 | |
CKI | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE- 8-SULFONAMIDE | A | 2CSN | 0.83 | |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.74 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.78 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.78 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.78 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | E | 2ERZ | 0.75 | |
| HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | A,B | 2ETK | 0.75 | |