Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02479454
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 |
5NI | 5-NITROINDAZOLE | A,B | 1M8I | 0.84 |  |
| 5NI | 5-NITROINDAZOLE | A,B | 1M9Q | 0.84 | |
7NI | 7-NITROINDAZOLE | A,B | 1M8E | 0.83 | |
| 7NI | 7-NITROINDAZOLE | A,B | 1FOJ | 0.83 | |
| 7NI | 7-NITROINDAZOLE | A,B | 1M9K | 0.83 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.82 | |
6NI | 6-NITROINDAZOLE | A,B | 1M8H | 0.81 | |
| 6NI | 6-NITROINDAZOLE | A,B | 1M9M | 0.81 | |
MQ0 | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.78 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.76 | |
| LZ1 | 1H-indazole | A | 2VTA | 0.76 | |
7I2 | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.74 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.74 | |
3B3 | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.74 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.73 | |
INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1D0O | 0.73 | |
| INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1M9R | 0.73 | |
| INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1D0C | 0.73 | |
| INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1M9T | 0.73 | |
| INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1OM5 | 0.73 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.72 | |
R20 | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.72 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.7 | |