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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02160801

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24XH,L2EC90.76
DZF5-DEAZAFOLIC ACIDA,B2DHF0.71
DZF5-DEAZAFOLIC ACIDA,B1DYH0.71
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.71
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
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID
A2Z8C0.73
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID
A2Z7L0.73
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.75
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.75
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.71
NXXA,B,C,D3DLA0.71
NXXA,B,C2QTR0.71
NTMQUINOLINIC ACIDA3C2O0.73
NTMQUINOLINIC ACIDA,B1QAP0.73
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.73
NTMQUINOLINIC ACIDA,B,C2B7N0.73
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide
A,B2P2I0.72
NNRNicotinamide ribosideA2QT00.73
NNRNicotinamide ribosideA2QT10.73
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID
B2I030.74
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.84
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.81
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE
A2QHM0.73
NIONICOTINIC ACIDA1JHQ0.8
NIONICOTINIC ACIDA1L5L0.8
NIONICOTINIC ACIDA2F7F0.8
NIONICOTINIC ACIDA1L5K0.8
NIONICOTINIC ACIDA1JHY0.8
NIONICOTINIC ACIDA,B1FSL0.8
NIONICOTINIC ACIDA1L5M0.8
NIONICOTINIC ACIDA1LH60.8
NIONICOTINIC ACIDA1JHO0.8
NIONICOTINIC ACIDA3CI80.8
NIONICOTINIC ACIDA,B,C,D1ICU0.8
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.8
NIONICOTINIC ACIDA1JHA0.8
NIONICOTINIC ACIDA1JHV0.8
NIONICOTINIC ACIDA1L4N0.8
NIONICOTINIC ACIDA2LH60.8
NIONICOTINIC ACIDA1D0V0.8
NIONICOTINIC ACIDA,B,C,D1ICV0.8
NIONICOTINIC ACIDA,B1ICR0.8
NIONICOTINIC ACIDA1JHR0.8
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.72
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID
A1RWN0.7
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KQO0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H290.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1NUQ0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1WXG0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D,E,F1KAQ0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1EE10.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B,C,D3E270.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA1XQD0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B2H2A0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1IFX0.71
DNDNICOTINIC ACID ADENINE DINUCLEOTIDEA,B1XNG0.71
NIXNALIDIXIC ACIDA,B2BQ20.74
OPN{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-
DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-
ACETYL]-AMINO}-ACETIC ACID
A,B,C,D1HZS0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.7
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.7
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.71