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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02984499

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.77
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.71
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.85
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.85
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.85
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.85
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.85
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.85
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.85
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.85
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.85
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.85
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.85
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.85
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.72
NCANICOTINAMIDEA,B2E5D0.78
NCANICOTINAMIDEA,B,C,D2Z770.78
NCANICOTINAMIDEA,B1DMA0.78
NCANICOTINAMIDEA,B1ISM0.78
NCANICOTINAMIDEA,B1YC50.78
NCANICOTINAMIDEA2ZB70.78
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.78
NCANICOTINAMIDEA,B2QQG0.78
NCANICOTINAMIDEA2OTV0.78
NCANICOTINAMIDEA2QHF0.78
NCANICOTINAMIDEA,B,C,D2C8A0.78
NCANICOTINAMIDEA,B2HJH0.78
NCANICOTINAMIDEA2A150.78
NCANICOTINAMIDEA2R6V0.78
NCANICOTINAMIDEA,B1ISI0.78
NCANICOTINAMIDEA,D,E2R9J0.78
NCANICOTINAMIDEA2H4J0.78
NCANICOTINAMIDEA,B2OD90.78
NCANICOTINAMIDEA,B,C,D,E1YC20.78
NCANICOTINAMIDEA,B3DZG0.78
NCANICOTINAMIDEA1OJU0.78
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.73
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.72
NA3(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-
4-OXOBUTANOIC ACID
A1RE10.72
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
MYTMETYRAPONEA1PHG0.73
MYTMETYRAPONEA1W0G0.73
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.73
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
A1F400.72
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.77
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.77
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.79
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.79
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.78
BRT5-BROMONICOTINAMIDEA,B1GXZ0.71
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.7