Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00059176
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 |
LZ1 | 1H-indazole | A,B | 3E6I | 0.89 | |
LZ1 | 1H-indazole | A | 2VTA | 0.89 | |
LZ9 | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.71 | |
GVP | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL- 4-YL)PHENYL]PIPERIDINE | A | 2UW9 | 0.72 | |
GVP | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL- 4-YL)PHENYL]PIPERIDINE | A | 2UW7 | 0.72 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.92 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.88 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.77 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.75 | |
5B2 | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.75 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.73 | |
LZ5 | N-phenyl-1H-pyrazole-3-carboxamide | A | 2VTL | 0.72 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.92 | |
GVN | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW5 | 0.76 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.83 | |
5B1 | 5-bromo-1H-indazol-3-amine | A | 3E62 | 0.72 | |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.72 | |
5NI | 5-NITROINDAZOLE | A,B | 1M8I | 0.81 | |
5NI | 5-NITROINDAZOLE | A,B | 1M9Q | 0.81 | |
7NI | 7-NITROINDAZOLE | A,B | 1M8E | 0.78 | |
7NI | 7-NITROINDAZOLE | A,B | 1FOJ | 0.78 | |
7NI | 7-NITROINDAZOLE | A,B | 1M9K | 0.78 | |
R20 | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.84 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.78 | |
MQ0 | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.7 | |
6NI | 6-NITROINDAZOLE | A,B | 1M8H | 0.81 | |
6NI | 6-NITROINDAZOLE | A,B | 1M9M | 0.81 | |
GVO | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW6 | 0.76 |