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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00813910

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.76
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.76
NCANICOTINAMIDEA,B2E5D0.73
NCANICOTINAMIDEA,B,C,D2Z770.73
NCANICOTINAMIDEA,B1DMA0.73
NCANICOTINAMIDEA,B1ISM0.73
NCANICOTINAMIDEA,B1YC50.73
NCANICOTINAMIDEA2ZB70.73
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.73
NCANICOTINAMIDEA,B2QQG0.73
NCANICOTINAMIDEA2OTV0.73
NCANICOTINAMIDEA2QHF0.73
NCANICOTINAMIDEA,B,C,D2C8A0.73
NCANICOTINAMIDEA,B2HJH0.73
NCANICOTINAMIDEA2A150.73
NCANICOTINAMIDEA2R6V0.73
NCANICOTINAMIDEA,B1ISI0.73
NCANICOTINAMIDEA,D,E2R9J0.73
NCANICOTINAMIDEA2H4J0.73
NCANICOTINAMIDEA,B2OD90.73
NCANICOTINAMIDEA,B,C,D,E1YC20.73
NCANICOTINAMIDEA,B3DZG0.73
NCANICOTINAMIDEA1OJU0.73
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.71
NNRNicotinamide ribosideA2QT00.79
NNRNicotinamide ribosideA2QT10.79
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.78
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.76
BDEN'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDEA,B,C,D,E,F2GLP0.7
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.76
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.76
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.76
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.76