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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024249

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.74
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.74
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.74
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.74
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.74
PQQPYRROLOQUINOLINE QUINONEA1KV90.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.74
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.74
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.74
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.74
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.74
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.74
PQQPYRROLOQUINOLINE QUINONEA1KB00.74
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.74
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.74
PQQPYRROLOQUINOLINE QUINONEA,C1G720.74
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
NIONICOTINIC ACIDA1JHQ0.74
NIONICOTINIC ACIDA1L5L0.74
NIONICOTINIC ACIDA2F7F0.74
NIONICOTINIC ACIDA1L5K0.74
NIONICOTINIC ACIDA1JHY0.74
NIONICOTINIC ACIDA,B1FSL0.74
NIONICOTINIC ACIDA1L5M0.74
NIONICOTINIC ACIDA1LH60.74
NIONICOTINIC ACIDA1JHO0.74
NIONICOTINIC ACIDA3CI80.74
NIONICOTINIC ACIDA,B,C,D1ICU0.74
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.74
NIONICOTINIC ACIDA1JHA0.74
NIONICOTINIC ACIDA1JHV0.74
NIONICOTINIC ACIDA1L4N0.74
NIONICOTINIC ACIDA2LH60.74
NIONICOTINIC ACIDA1D0V0.74
NIONICOTINIC ACIDA,B,C,D1ICV0.74
NIONICOTINIC ACIDA,B1ICR0.74
NIONICOTINIC ACIDA1JHR0.74
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.7
BLVBILIVERDIN IX GAMMA CHROMOPHOREA1Z240.7
BLVBILIVERDIN IX GAMMA CHROMOPHOREA,B,C,D1BBP0.7
BRFA1UUO0.7
PYCPYRROLE-2-CARBOXYLATEA1W620.75
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.75
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.75
PYCPYRROLE-2-CARBOXYLATEA,B1W610.75
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.75
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.71
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.78
NTMQUINOLINIC ACIDA3C2O0.73
NTMQUINOLINIC ACIDA,B1QAP0.73
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.73
NTMQUINOLINIC ACIDA,B,C2B7N0.73
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.73
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.72
QNDQUINALDIC ACIDA,B1IDA0.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.7
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.7
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.72
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.75
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.79
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.71
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID
A,B1E510.72
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID
A1OHL0.72