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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045275

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7DE3,5-DIMETHYL-1-(3-NITROPHENYL)-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2J0.71
7DE3,5-DIMETHYL-1-(3-NITROPHENYL)-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2K0.71
LZ74-(acetylamino)-N-(4-fluorophenyl)-
1H-pyrazole-3-carboxamide
A2VTN0.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.72
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.73
PYCPYRROLE-2-CARBOXYLATEA1W620.75
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.75
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.75
PYCPYRROLE-2-CARBOXYLATEA,B1W610.75
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.75
ZZA1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACIDA,B,D2VCW0.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.71
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.71
6DE1-(2-CHLOROPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2H0.7
LZ5N-phenyl-1H-pyrazole-3-carboxamideA2VTL0.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.75
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.75
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.75
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.75
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.7
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.76
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.76