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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007054

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AP3-AMINOPYRIDINEA1AEF0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
PYS2-PYRIDINETHIOLA,B1CTE0.76
PYS2-PYRIDINETHIOLA2IPP0.76
D4GA,B,C,D2FDY0.72
2862-ethenyl-1-methylpyridiniumX2RC20.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
4AP4-AMINOPYRIDINEA1AEG0.72
ISQISOQUINOLINEA1GDK0.7
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.76
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.72
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
NTNISONICOTINAMIDINEA7ADH0.75
26DPYRIDINE-2,6-DIAMINEA2ANZ0.81
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79