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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02216936

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.73
PY7PYRIDIN-4-YLMETHANOLA2EUR0.72
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
PYF3-PYRIDINYLCARBINOLA,B1R160.72
D4GA,B,C,D2FDY0.7
PYS2-PYRIDINETHIOLA,B1CTE0.71
PYS2-PYRIDINETHIOLA2IPP0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.72
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.77
2823-methoxypyridineX2RBZ0.85
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.71
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.75
NTNISONICOTINAMIDINEA7ADH0.7
2862-ethenyl-1-methylpyridiniumX2RC20.77
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.73
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.73
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL
I1E820.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.71
APY2-AMINOMETHYL-PYRIDINEI1IVP0.71
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.74