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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02187694

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B3FHX0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2DDW0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9W0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B2Z9X0.7
PXL3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEA,B1TD20.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.73
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.71
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.81
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.81
NIXNALIDIXIC ACIDA,B2BQ20.71
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.87
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.73
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.73
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.8
PYCPYRROLE-2-CARBOXYLATEA1W620.72
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.72
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.72
PYCPYRROLE-2-CARBOXYLATEA,B1W610.72
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.72
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol
A,B3EKO0.71
BRT5-BROMONICOTINAMIDEA,B1GXZ0.72
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.73
ZZA1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACIDA,B,D2VCW0.7
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
NIONICOTINIC ACIDA1JHQ0.97
NIONICOTINIC ACIDA1L5L0.97
NIONICOTINIC ACIDA2F7F0.97
NIONICOTINIC ACIDA1L5K0.97
NIONICOTINIC ACIDA1JHY0.97
NIONICOTINIC ACIDA,B1FSL0.97
NIONICOTINIC ACIDA1L5M0.97
NIONICOTINIC ACIDA1LH60.97
NIONICOTINIC ACIDA1JHO0.97
NIONICOTINIC ACIDA3CI80.97
NIONICOTINIC ACIDA,B,C,D1ICU0.97
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.97
NIONICOTINIC ACIDA1JHA0.97
NIONICOTINIC ACIDA1JHV0.97
NIONICOTINIC ACIDA1L4N0.97
NIONICOTINIC ACIDA2LH60.97
NIONICOTINIC ACIDA1D0V0.97
NIONICOTINIC ACIDA,B,C,D1ICV0.97
NIONICOTINIC ACIDA,B1ICR0.97
NIONICOTINIC ACIDA1JHR0.97
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.73
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.8
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.79
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.78
PYF3-PYRIDINYLCARBINOLA,B1R160.82
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.83
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.83
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.83
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.83
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.83
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.83
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.83
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.83
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.83
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.83
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.83
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.83
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.73
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.72
MYTMETYRAPONEA1PHG0.75
MYTMETYRAPONEA1W0G0.75
PY7PYRIDIN-4-YLMETHANOLA2EUR0.76
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.74
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.74
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.74
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.8
NA3(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-
4-OXOBUTANOIC ACID
A1RE10.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.71
NTMQUINOLINIC ACIDA3C2O0.86
NTMQUINOLINIC ACIDA,B1QAP0.86
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.86
NTMQUINOLINIC ACIDA,B,C2B7N0.86
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.79
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
NCANICOTINAMIDEA,B2E5D0.79
NCANICOTINAMIDEA,B,C,D2Z770.79
NCANICOTINAMIDEA,B1DMA0.79
NCANICOTINAMIDEA,B1ISM0.79
NCANICOTINAMIDEA,B1YC50.79
NCANICOTINAMIDEA2ZB70.79
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.79
NCANICOTINAMIDEA,B2QQG0.79
NCANICOTINAMIDEA2OTV0.79
NCANICOTINAMIDEA2QHF0.79
NCANICOTINAMIDEA,B,C,D2C8A0.79
NCANICOTINAMIDEA,B2HJH0.79
NCANICOTINAMIDEA2A150.79
NCANICOTINAMIDEA2R6V0.79
NCANICOTINAMIDEA,B1ISI0.79
NCANICOTINAMIDEA,D,E2R9J0.79
NCANICOTINAMIDEA2H4J0.79
NCANICOTINAMIDEA,B2OD90.79
NCANICOTINAMIDEA,B,C,D,E1YC20.79
NCANICOTINAMIDEA,B3DZG0.79
NCANICOTINAMIDEA1OJU0.79
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.7
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.88
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.88
NNRNicotinamide ribosideA2QT00.77
NNRNicotinamide ribosideA2QT10.77
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.81
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.81
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.8
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.8
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.8
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.8