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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00317732

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.73
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.74
PYCPYRROLE-2-CARBOXYLATEA1W620.72
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.72
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.72
PYCPYRROLE-2-CARBOXYLATEA,B1W610.72
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.72
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.76
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.71
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.72
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.72
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.72
NTMQUINOLINIC ACIDA3C2O0.76
NTMQUINOLINIC ACIDA,B1QAP0.76
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.76
NTMQUINOLINIC ACIDA,B,C2B7N0.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.77
NIONICOTINIC ACIDA1JHQ0.78
NIONICOTINIC ACIDA1L5L0.78
NIONICOTINIC ACIDA2F7F0.78
NIONICOTINIC ACIDA1L5K0.78
NIONICOTINIC ACIDA1JHY0.78
NIONICOTINIC ACIDA,B1FSL0.78
NIONICOTINIC ACIDA1L5M0.78
NIONICOTINIC ACIDA1LH60.78
NIONICOTINIC ACIDA1JHO0.78
NIONICOTINIC ACIDA3CI80.78
NIONICOTINIC ACIDA,B,C,D1ICU0.78
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.78
NIONICOTINIC ACIDA1JHA0.78
NIONICOTINIC ACIDA1JHV0.78
NIONICOTINIC ACIDA1L4N0.78
NIONICOTINIC ACIDA2LH60.78
NIONICOTINIC ACIDA1D0V0.78
NIONICOTINIC ACIDA,B,C,D1ICV0.78
NIONICOTINIC ACIDA,B1ICR0.78
NIONICOTINIC ACIDA1JHR0.78
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.72
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.72
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.72
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.72
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.72
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.72
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.7
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.7
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.72
E093-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-
2-[1H-INDOLE-4,7-DIONE]-PROPANOL		A,B,C,D1GG50.75
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.78
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE		A,B,C,D1H690.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.76
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.76
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.76
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.76
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.72
BRFA1UUO0.71
QNDQUINALDIC ACIDA,B1IDA0.72
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.76
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.72
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