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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005447

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.79
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
4PPC,L1XKA0.71
4PPA,B,C,D1XKB0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.71
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.7
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.7
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.7
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.7
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.7
NTMQUINOLINIC ACIDA3C2O0.76
NTMQUINOLINIC ACIDA,B1QAP0.76
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.76
NTMQUINOLINIC ACIDA,B,C2B7N0.76
NIONICOTINIC ACIDA1JHQ0.77
NIONICOTINIC ACIDA1L5L0.77
NIONICOTINIC ACIDA2F7F0.77
NIONICOTINIC ACIDA1L5K0.77
NIONICOTINIC ACIDA1JHY0.77
NIONICOTINIC ACIDA,B1FSL0.77
NIONICOTINIC ACIDA1L5M0.77
NIONICOTINIC ACIDA1LH60.77
NIONICOTINIC ACIDA1JHO0.77
NIONICOTINIC ACIDA3CI80.77
NIONICOTINIC ACIDA,B,C,D1ICU0.77
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.77
NIONICOTINIC ACIDA1JHA0.77
NIONICOTINIC ACIDA1JHV0.77
NIONICOTINIC ACIDA1L4N0.77
NIONICOTINIC ACIDA2LH60.77
NIONICOTINIC ACIDA1D0V0.77
NIONICOTINIC ACIDA,B,C,D1ICV0.77
NIONICOTINIC ACIDA,B1ICR0.77
NIONICOTINIC ACIDA1JHR0.77
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.7
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.7
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
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
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.83
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.83
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.74
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.77
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.7
2862-ethenyl-1-methylpyridiniumX2RC20.77
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.76
APY2-AMINOMETHYL-PYRIDINEI1IVP0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.71