Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01404172
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 |
7DE | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2J | 0.79 | |
7DE | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2K | 0.79 | |
3DE | 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE- 4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2C | 0.8 | |
4DE | 1-(4-METHOXYPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2D | 0.79 | |
CEL | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.72 | |
6DE | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2H | 0.78 | |
5DE | 1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2E | 0.82 | |
1SM | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN- 2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | A,B | 1T9C | 0.7 | |
1SM | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN- 2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | A | 1YI0 | 0.7 | |
326 | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2- METHYL-4-SULFOPHENYL)-1H-PYRAZOL- 4-YL]DIAZENYL}-4-SULFOBENZOIC ACID | A,B | 1THZ | 0.77 | |
VIA | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1XOS | 0.71 | |
VIA | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1TBF | 0.71 | |
VIA | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A,B,C | 2H42 | 0.71 | |
VIA | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1UDT | 0.71 |