Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00000052
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 |
5DE | 1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2E | 0.84 |  |
3DE | 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE- 4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2C | 0.82 | |
ZZA | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B,D | 2VCW | 0.75 | |
7DE | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2J | 0.81 | |
| 7DE | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2K | 0.81 | |
582 | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H- PYRAZOLO[4,3-C]QUINOLIN-4-ONE | A | 2QHN | 0.73 | |
CEL | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.7 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.7 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.71 | |
6DE | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2H | 0.81 | |
4DE | 1-(4-METHOXYPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2D | 0.77 | |