Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02649946
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 |
306 | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H- INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN- 2(1H)-ONE | A | 2HY0 | 0.7 | |
5NI | 5-NITROINDAZOLE | A,B | 1M8I | 0.86 | |
5NI | 5-NITROINDAZOLE | A,B | 1M9Q | 0.86 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.74 | |
FRZ | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN- 3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN- 3-AMINE | A | 1TVO | 0.7 | |
5B2 | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.73 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.75 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.74 | |
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 | |
422 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)-1H- INDAZOLE-6-CARBONITRILE | A | 2HXL | 0.72 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.72 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.72 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.72 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.72 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.72 | |
6NI | 6-NITROINDAZOLE | A,B | 1M8H | 0.89 | |
6NI | 6-NITROINDAZOLE | A,B | 1M9M | 0.89 | |
7NI | 7-NITROINDAZOLE | A,B | 1M8E | 0.83 | |
7NI | 7-NITROINDAZOLE | A,B | 1FOJ | 0.83 | |
7NI | 7-NITROINDAZOLE | A,B | 1M9K | 0.83 | |
SM5 | (1E)-5-(1-piperidin-4-yl-3-pyridin- 4-yl-1H-pyrazol-4-yl)-2,3-dihydro- 1H-inden-1-one oxime | A,B | 3D4Q | 0.72 | |
LZ5 | N-phenyl-1H-pyrazole-3-carboxamide | A | 2VTL | 0.71 | |
SBC | 1-[4-(AMINOSULFONYL)PHENYL]-1,6- DIHYDROPYRAZOLO[3,4-E]INDAZOLE- 3-CARBOXAMIDE | A,C,D | 2BKZ | 0.72 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.7 | |
P44 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVJ | 0.7 | |
LZ9 | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.72 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.72 | |
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 | |
7I2 | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.79 | |
LZ8 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]- 4H-pyrazole-3-carboxamide | A | 2VTO | 0.7 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.81 | |
LZ1 | 1H-indazole | A | 2VTA | 0.81 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.8 | |
HYZ | N-[1-(3-fluorobenzyl)-1H-indazol- 5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine- 4,6-diamine | A | 2RGP | 0.71 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.85 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.72 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.72 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.72 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.75 | |
QIG | N-1H-indazol-5-yl-2-(6-methylpyridin- 2-yl)quinazolin-4-amine | A | 3GXL | 0.71 |