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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02409039

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
A1AU40.71
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
A1F400.76
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.83
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.83
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE
A1KSN0.73
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.71
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE
A,B,C,D2BM20.7
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.78
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.78
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.78
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.78
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.78
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.78
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.78
NIONICOTINIC ACIDA1JHQ0.7
NIONICOTINIC ACIDA1L5L0.7
NIONICOTINIC ACIDA2F7F0.7
NIONICOTINIC ACIDA1L5K0.7
NIONICOTINIC ACIDA1JHY0.7
NIONICOTINIC ACIDA,B1FSL0.7
NIONICOTINIC ACIDA1L5M0.7
NIONICOTINIC ACIDA1LH60.7
NIONICOTINIC ACIDA1JHO0.7
NIONICOTINIC ACIDA3CI80.7
NIONICOTINIC ACIDA,B,C,D1ICU0.7
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.7
NIONICOTINIC ACIDA1JHA0.7
NIONICOTINIC ACIDA1JHV0.7
NIONICOTINIC ACIDA1L4N0.7
NIONICOTINIC ACIDA2LH60.7
NIONICOTINIC ACIDA1D0V0.7
NIONICOTINIC ACIDA,B,C,D1ICV0.7
NIONICOTINIC ACIDA,B1ICR0.7
NIONICOTINIC ACIDA1JHR0.7
NCANICOTINAMIDEA,B2E5D0.72
NCANICOTINAMIDEA,B,C,D2Z770.72
NCANICOTINAMIDEA,B1DMA0.72
NCANICOTINAMIDEA,B1ISM0.72
NCANICOTINAMIDEA,B1YC50.72
NCANICOTINAMIDEA2ZB70.72
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.72
NCANICOTINAMIDEA,B2QQG0.72
NCANICOTINAMIDEA2OTV0.72
NCANICOTINAMIDEA2QHF0.72
NCANICOTINAMIDEA,B,C,D2C8A0.72
NCANICOTINAMIDEA,B2HJH0.72
NCANICOTINAMIDEA2A150.72
NCANICOTINAMIDEA2R6V0.72
NCANICOTINAMIDEA,B1ISI0.72
NCANICOTINAMIDEA,D,E2R9J0.72
NCANICOTINAMIDEA2H4J0.72
NCANICOTINAMIDEA,B2OD90.72
NCANICOTINAMIDEA,B,C,D,E1YC20.72
NCANICOTINAMIDEA,B3DZG0.72
NCANICOTINAMIDEA1OJU0.72
NA3(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-
4-OXOBUTANOIC ACID
A1RE10.72
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.71
NNRNicotinamide ribosideA2QT00.85
NNRNicotinamide ribosideA2QT10.85
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.7
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
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE
B2BPV0.72
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE
B2BPW0.72
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.72
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.76
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
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine
A3CUV0.72
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.74
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.74
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.71