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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01969613

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.7
BTS3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACIDA,B1SUX0.72
THZBENZOTHIAZOLEH,I,R1TBZ0.71
THZBENZOTHIAZOLEH,I,R1B5G0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.8
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.8
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.8
D4GA,B,C,D2FDY0.72
2862-ethenyl-1-methylpyridiniumX2RC20.71
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.77
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.73