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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02122392

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.7
4AP4-AMINOPYRIDINEA1AEG0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.82
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.79
2862-ethenyl-1-methylpyridiniumX2RC20.74
3AP3-AMINOPYRIDINEA1AEF0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.78
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.71
PYS2-PYRIDINETHIOLA,B1CTE0.86
PYS2-PYRIDINETHIOLA2IPP0.86
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
THZBENZOTHIAZOLEH,I,R1TBZ0.72
THZBENZOTHIAZOLEH,I,R1B5G0.72
D4GA,B,C,D2FDY0.79
NTNISONICOTINAMIDINEA7ADH0.73