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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006682

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.71
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
4AP4-AMINOPYRIDINEA1AEG0.71
PYF3-PYRIDINYLCARBINOLA,B1R160.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.7
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.7
PY7PYRIDIN-4-YLMETHANOLA2EUR0.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
2823-methoxypyridineX2RBZ0.87
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
2862-ethenyl-1-methylpyridiniumX2RC20.74
PYS2-PYRIDINETHIOLA,B1CTE0.73
PYS2-PYRIDINETHIOLA2IPP0.73
NTNISONICOTINAMIDINEA7ADH0.72
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.73
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.72
D4GA,B,C,D2FDY0.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL
I1E820.74
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.75