Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02093132
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 |
LZ5 | N-phenyl-1H-pyrazole-3-carboxamide | A | 2VTL | 0.7 |  |
6NI | 6-NITROINDAZOLE | A,B | 1M8H | 0.91 | |
| 6NI | 6-NITROINDAZOLE | A,B | 1M9M | 0.91 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.74 | |
MQ0 | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.71 | |
537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 1UKI | 0.72 | |
| 537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 1PMV | 0.72 | |
| 537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 2ZMD | 0.72 | |
R20 | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.79 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.98 | |
| LZ1 | 1H-indazole | A | 2VTA | 0.98 | |
IND | INDOLE | A | 1L4H | 0.72 | |
| IND | INDOLE | A,B,G | 1O7N | 0.72 | |
| IND | INDOLE | A | 185L | 0.72 | |
| IND | INDOLE | A,B | 1EG9 | 0.72 | |
| IND | INDOLE | A,B | 1UUV | 0.72 | |
| IND | INDOLE | A,C,E | 2B24 | 0.72 | |
| IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.72 | |
5NI | 5-NITROINDAZOLE | A,B | 1M8I | 0.89 | |
| 5NI | 5-NITROINDAZOLE | A,B | 1M9Q | 0.89 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.71 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.71 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.71 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.86 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.72 | |
7I2 | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.7 | |
GVO | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW6 | 0.72 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.81 | |
INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1D0O | 0.74 | |
| INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1M9R | 0.74 | |
| INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1D0C | 0.74 | |
| INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1M9T | 0.74 | |
| INE | 3-BROMO-7-NITROINDAZOLE | A,B | 1OM5 | 0.74 | |
5B2 | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.8 | |
7NI | 7-NITROINDAZOLE | A,B | 1M8E | 0.85 | |
| 7NI | 7-NITROINDAZOLE | A,B | 1FOJ | 0.85 | |
| 7NI | 7-NITROINDAZOLE | A,B | 1M9K | 0.85 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.87 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.71 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.71 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.71 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.71 | |
GVN | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW5 | 0.72 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.85 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.73 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.75 | |
5B1 | 5-bromo-1H-indazol-3-amine | A | 3E62 | 0.79 | |