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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00073299

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.73
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.78
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
PY7PYRIDIN-4-YLMETHANOLA2EUR0.7
PYS2-PYRIDINETHIOLA,B1CTE0.83
PYS2-PYRIDINETHIOLA2IPP0.83
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.8
2862-ethenyl-1-methylpyridiniumX2RC20.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.7
APY2-AMINOMETHYL-PYRIDINEI1IVP0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.77
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.72
NTNISONICOTINAMIDINEA7ADH0.7
D4GA,B,C,D2FDY0.76
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.7