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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00000694

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.83
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1UKI0.7
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1PMV0.7
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A2ZMD0.7
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.75
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.74
2MI2-METHYL-1H-INDOLEA2PIO0.73
5NI5-NITROINDAZOLEA,B1M8I0.73
5NI5-NITROINDAZOLEA,B1M9Q0.73
LZ11H-indazoleA,B3E6I0.78
LZ11H-indazoleA2VTA0.78
5B15-bromo-1H-indazol-3-amineA3E620.72
6NI6-NITROINDAZOLEA,B1M8H0.73
6NI6-NITROINDAZOLEA,B1M9M0.73
5B25-phenyl-1H-indazol-3-amineA3E630.78
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
5MB5-METHYLBENZIMIDAZOLEA1JHM0.7
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.72
INE3-BROMO-7-NITROINDAZOLEA,B1D0O0.74
INE3-BROMO-7-NITROINDAZOLEA,B1M9R0.74
INE3-BROMO-7-NITROINDAZOLEA,B1D0C0.74
INE3-BROMO-7-NITROINDAZOLEA,B1M9T0.74
INE3-BROMO-7-NITROINDAZOLEA,B1OM50.74
7NI7-NITROINDAZOLEA,B1M8E0.74
7NI7-NITROINDAZOLEA,B1FOJ0.74
7NI7-NITROINDAZOLEA,B1M9K0.74
BRNBERENILA,B268D0.73
BRNBERENILA,B1D630.73
BRNBERENILA,D,E2GBY0.73
BRNBERENILA2DBE0.73
BRNBERENILA2GVR0.73