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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01972528

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.78
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWJ0.7
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
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.73
QNC2-CARBONYLQUINOLINEA,B2FGV0.73
QNC2-CARBONYLQUINOLINEI1IVQ0.73
QNC2-CARBONYLQUINOLINEA,B2FGU0.73
QNC2-CARBONYLQUINOLINEA1JLD0.73
QNC2-CARBONYLQUINOLINEA,B1HXB0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.84
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.84
NIXNALIDIXIC ACIDA,B2BQ20.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.7
NTMQUINOLINIC ACIDA3C2O0.82
NTMQUINOLINIC ACIDA,B1QAP0.82
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.82
NTMQUINOLINIC ACIDA,B,C2B7N0.82
NIONICOTINIC ACIDA1JHQ0.75
NIONICOTINIC ACIDA1L5L0.75
NIONICOTINIC ACIDA2F7F0.75
NIONICOTINIC ACIDA1L5K0.75
NIONICOTINIC ACIDA1JHY0.75
NIONICOTINIC ACIDA,B1FSL0.75
NIONICOTINIC ACIDA1L5M0.75
NIONICOTINIC ACIDA1LH60.75
NIONICOTINIC ACIDA1JHO0.75
NIONICOTINIC ACIDA3CI80.75
NIONICOTINIC ACIDA,B,C,D1ICU0.75
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.75
NIONICOTINIC ACIDA1JHA0.75
NIONICOTINIC ACIDA1JHV0.75
NIONICOTINIC ACIDA1L4N0.75
NIONICOTINIC ACIDA2LH60.75
NIONICOTINIC ACIDA1D0V0.75
NIONICOTINIC ACIDA,B,C,D1ICV0.75
NIONICOTINIC ACIDA,B1ICR0.75
NIONICOTINIC ACIDA1JHR0.75
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.72
BRFA1UUO0.78
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.74
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.85
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.85
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.85
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.85
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.87
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.87
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.87
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.83
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.76
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.72
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.73
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.71
QNDQUINALDIC ACIDA,B1IDA0.89
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.91
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.91
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.91
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.91
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.91
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.91
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
238A2PRH0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.78
DPYA,B1JES0.78
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.79
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.71
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.7