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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00053171

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.81
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
3AP3-AMINOPYRIDINEA1AEF0.72
4AP4-AMINOPYRIDINEA1AEG0.71
THZBENZOTHIAZOLEH,I,R1TBZ0.71
THZBENZOTHIAZOLEH,I,R1B5G0.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.72
PYS2-PYRIDINETHIOLA,B1CTE0.85
PYS2-PYRIDINETHIOLA2IPP0.85
D4GA,B,C,D2FDY0.8
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
2862-ethenyl-1-methylpyridiniumX2RC20.74
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.73
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
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.72
NTNISONICOTINAMIDINEA7ADH0.74
3MP3-METHYLPYRIDINEA1EUB0.76
3MP3-METHYLPYRIDINEA1BM60.76
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.74
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.74
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.74
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.8