Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02183887
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 |
6NI![]() | 6-NITROINDAZOLE | A,B | 1M8H | 0.72 | ![]() |
6NI![]() | 6-NITROINDAZOLE | A,B | 1M9M | 0.72 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CL7 | 0.7 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CL6 | 0.7 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CE2 | 0.7 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2EVW | 0.7 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CL0 | 0.7 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CLC | 0.7 | ![]() |
VC3![]() | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.76 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.73 | ![]() |
MTW![]() | HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H- 1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN- 2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | A,C | 2C5X | 0.7 | ![]() |
MTW![]() | HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H- 1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN- 2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | A | 2C5Y | 0.7 | ![]() |
DMZ![]() | 4-METHYL-N-METHYL-N-(2-PHENYL-2H- PYRAZOL-3-YL)BENZENESULFONAMIDE | A | 1N6B | 0.7 | ![]() |
LL1![]() | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.73 | ![]() |
5NI![]() | 5-NITROINDAZOLE | A,B | 1M8I | 0.73 | ![]() |
5NI![]() | 5-NITROINDAZOLE | A,B | 1M9Q | 0.73 | ![]() |
LIG![]() | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.72 | ![]() |
3B3![]() | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.73 | ![]() |
GG5![]() | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.74 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.7 | ![]() |
FPH![]() | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.74 | ![]() |
580![]() | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.71 | ![]() |
7NI![]() | 7-NITROINDAZOLE | A,B | 1M8E | 0.75 | ![]() |
7NI![]() | 7-NITROINDAZOLE | A,B | 1FOJ | 0.75 | ![]() |
7NI![]() | 7-NITROINDAZOLE | A,B | 1M9K | 0.75 | ![]() |
ZZA![]() | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B,D | 2VCW | 0.71 | ![]() |
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 | 0.73 | ![]() |
7I2![]() | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.81 | ![]() |