Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02103104
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 |
HYZ | N-[1-(3-fluorobenzyl)-1H-indazol- 5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine- 4,6-diamine | A | 2RGP | 0.73 | |
IDZ | 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE | A | 2C3L | 0.71 | |
6NI | 6-NITROINDAZOLE | A,B | 1M8H | 0.77 | |
6NI | 6-NITROINDAZOLE | A,B | 1M9M | 0.77 | |
7I2 | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.74 | |
FRZ | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN- 3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN- 3-AMINE | A | 1TVO | 0.7 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.73 | |
5B2 | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.72 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.78 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.7 | |
P44 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVJ | 0.72 | |
L0D | 2-(1H-pyrazol-3-yl)-1H-benzimidazole | A | 2W1D | 0.71 | |
P19 | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE- 2,4-DIAMINE | A | 2PVH | 0.72 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.79 | |
5NI | 5-NITROINDAZOLE | A,B | 1M8I | 0.79 | |
5NI | 5-NITROINDAZOLE | A,B | 1M9Q | 0.79 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.83 | |
LZ1 | 1H-indazole | A | 2VTA | 0.83 | |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.71 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.76 | |
7NI | 7-NITROINDAZOLE | A,B | 1M8E | 0.75 | |
7NI | 7-NITROINDAZOLE | A,B | 1FOJ | 0.75 | |
7NI | 7-NITROINDAZOLE | A,B | 1M9K | 0.75 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.71 | |
VC3 | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.73 | |
R20 | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.7 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.73 | |
QIG | N-1H-indazol-5-yl-2-(6-methylpyridin- 2-yl)quinazolin-4-amine | A | 3GXL | 0.76 |