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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002657

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BRT5-BROMONICOTINAMIDEA,B1GXZ0.74
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.7
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.76
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.71
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.71
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.74
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.77
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.77
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.77
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.77
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.77
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.77
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.82
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.82
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.76
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
NCANICOTINAMIDEA,B2E5D0.82
NCANICOTINAMIDEA,B,C,D2Z770.82
NCANICOTINAMIDEA,B1DMA0.82
NCANICOTINAMIDEA,B1ISM0.82
NCANICOTINAMIDEA,B1YC50.82
NCANICOTINAMIDEA2ZB70.82
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.82
NCANICOTINAMIDEA,B2QQG0.82
NCANICOTINAMIDEA2OTV0.82
NCANICOTINAMIDEA2QHF0.82
NCANICOTINAMIDEA,B,C,D2C8A0.82
NCANICOTINAMIDEA,B2HJH0.82
NCANICOTINAMIDEA2A150.82
NCANICOTINAMIDEA2R6V0.82
NCANICOTINAMIDEA,B1ISI0.82
NCANICOTINAMIDEA,D,E2R9J0.82
NCANICOTINAMIDEA2H4J0.82
NCANICOTINAMIDEA,B2OD90.82
NCANICOTINAMIDEA,B,C,D,E1YC20.82
NCANICOTINAMIDEA,B3DZG0.82
NCANICOTINAMIDEA1OJU0.82
MYTMETYRAPONEA1PHG0.75
MYTMETYRAPONEA1W0G0.75
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.79
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.79
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
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.77
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.76
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.71