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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03413755

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DA1PYRIDINE-2,5-DIAMINEA2AQD0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.78
2862-ethenyl-1-methylpyridiniumX2RC20.83
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.87
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.87
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.87
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
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.71
D4GA,B,C,D2FDY0.78
2AP2-AMINOPYRIDINEA1AEO0.72
3AP3-AMINOPYRIDINEA1AEF0.75
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
3MP3-METHYLPYRIDINEA1EUB0.81
3MP3-METHYLPYRIDINEA1BM60.81
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.79
APY2-AMINOMETHYL-PYRIDINEI1IVP0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.78
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.78
4AP4-AMINOPYRIDINEA1AEG0.75
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
ISQISOQUINOLINEA1GDK0.73
2823-methoxypyridineX2RBZ0.72