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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03117345

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.75
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.75
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.75
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.75
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.75
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.75
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.75
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.71
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
B2AQU0.72
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
A2FXD0.72
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
A2O4K0.72
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
A,B2FXE0.72
NCANICOTINAMIDEA,B2E5D0.74
NCANICOTINAMIDEA,B,C,D2Z770.74
NCANICOTINAMIDEA,B1DMA0.74
NCANICOTINAMIDEA,B1ISM0.74
NCANICOTINAMIDEA,B1YC50.74
NCANICOTINAMIDEA2ZB70.74
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.74
NCANICOTINAMIDEA,B2QQG0.74
NCANICOTINAMIDEA2OTV0.74
NCANICOTINAMIDEA2QHF0.74
NCANICOTINAMIDEA,B,C,D2C8A0.74
NCANICOTINAMIDEA,B2HJH0.74
NCANICOTINAMIDEA2A150.74
NCANICOTINAMIDEA2R6V0.74
NCANICOTINAMIDEA,B1ISI0.74
NCANICOTINAMIDEA,D,E2R9J0.74
NCANICOTINAMIDEA2H4J0.74
NCANICOTINAMIDEA,B2OD90.74
NCANICOTINAMIDEA,B,C,D,E1YC20.74
NCANICOTINAMIDEA,B3DZG0.74
NCANICOTINAMIDEA1OJU0.74
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.74
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.84
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.84
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.71
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE
B2BPV0.7
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE
B2BPW0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.72
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
NNRNicotinamide ribosideA2QT00.86
NNRNicotinamide ribosideA2QT10.86
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine
A3CUV0.72
NIONICOTINIC ACIDA1JHQ0.71
NIONICOTINIC ACIDA1L5L0.71
NIONICOTINIC ACIDA2F7F0.71
NIONICOTINIC ACIDA1L5K0.71
NIONICOTINIC ACIDA1JHY0.71
NIONICOTINIC ACIDA,B1FSL0.71
NIONICOTINIC ACIDA1L5M0.71
NIONICOTINIC ACIDA1LH60.71
NIONICOTINIC ACIDA1JHO0.71
NIONICOTINIC ACIDA3CI80.71
NIONICOTINIC ACIDA,B,C,D1ICU0.71
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.71
NIONICOTINIC ACIDA1JHA0.71
NIONICOTINIC ACIDA1JHV0.71
NIONICOTINIC ACIDA1L4N0.71
NIONICOTINIC ACIDA2LH60.71
NIONICOTINIC ACIDA1D0V0.71
NIONICOTINIC ACIDA,B,C,D1ICV0.71
NIONICOTINIC ACIDA,B1ICR0.71
NIONICOTINIC ACIDA1JHR0.71
MYTMETYRAPONEA1PHG0.7
MYTMETYRAPONEA1W0G0.7