Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02821741
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 |
772 | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | A | 1O4H | 0.84 | |
IOS | 3-SULFOOXY-1H-INDOLE | A,B | 2BXH | 0.82 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.8 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.71 | |
3IP | 3-(BENZYLOXY)PYRIDIN-2-AMINE | A | 1W7H | 0.73 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.71 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.74 | |
282 | 3-methoxypyridine | X | 2RBZ | 0.71 | |
0AF | 7-hydroxy-L-tryptophan | L | 1MAE | 0.71 | |
0AF | 7-hydroxy-L-tryptophan | L | 1MAF | 0.71 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.73 | |
ELP | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL- 5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID | A | 1M0P | 0.74 | |
4EA | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)- 2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE | E | 2F7X | 0.71 | |
790 | 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | A | 1O4F | 0.71 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.78 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.78 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.78 | |
3ID | 3H-INDOLE-5,6-DIOL | A | 1F9B | 0.72 | |
3ID | 3H-INDOLE-5,6-DIOL | A | 1OYO | 0.72 | |
BER | BERBERINE | A | 3D6Y | 0.7 | |
BER | BERBERINE | A,B,D,E | 1JUM | 0.7 | |
BER | BERBERINE | A,B,D,E | 3BTI | 0.7 | |
BER | BERBERINE | A | 2QVD | 0.7 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | E | 2ERZ | 0.7 | |
HFS | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | A,B | 2ETK | 0.7 | |
2EA | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN- 6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE | E | 2F7E | 0.73 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.81 |