Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03105578
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 |
EES | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QGW | 0.73 | |
5DE | 1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2E | 0.75 | |
OMN | 4-BROMO-3-(5'-CARBOXY-4'-CHLORO- 2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL- PYRAZOL | A,B | 1SEZ | 0.73 | |
AIZ | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H- INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID | A | 2B1P | 0.75 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.71 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.7 | |
645 | [1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)- 5-HYDROXY-1H-PYRAZOL-4-YL][2-CHLORO- 4-(METHYLSULFONYL)PHENYL]METHANONE | A | 1TG5 | 0.75 | |
EI1 | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.7 | |
225 | FELODIPINE | A | 2NNJ | 0.7 | |
3DE | 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE- 4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2C | 0.74 | |
A58 | 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}- 1,4-DIHYDROINDENO[1,2-C]PYRAZOL- 3-YL)BENZOIC ACID | A | 2E9O | 0.71 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.72 | |
326 | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2- METHYL-4-SULFOPHENYL)-1H-PYRAZOL- 4-YL]DIAZENYL}-4-SULFOBENZOIC ACID | A,B | 1THZ | 0.72 | |
7DE | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2J | 0.72 | |
7DE | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2K | 0.72 | |
RIE | (3R,5R)-7-[1-(4-fluorophenyl)-4- (1-methylethyl)-3-{methyl[(1R)- 1-phenylethyl]carbamoyl}-1H-pyrazol- 5-yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 2R4F | 0.72 | |
ZZA | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B,D | 2VCW | 0.71 | |
LCF | [6-(4-CHLOROPHENYL)-2,2-DIMETHYL- 7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN- 5-YL]ACETIC ACID | A | 1ZYX | 0.73 | |
6DE | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2H | 0.81 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.71 | |
4DE | 1-(4-METHOXYPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2D | 0.72 | |
238 | A | 2PRH | 0.74 |