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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00043129

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7NI7-NITROINDAZOLEA,B1M8E0.88
7NI7-NITROINDAZOLEA,B1FOJ0.88
7NI7-NITROINDAZOLEA,B1M9K0.88
LZ11H-indazoleA,B3E6I0.85
LZ11H-indazoleA2VTA0.85
6NI6-NITROINDAZOLEA,B1M8H0.91
6NI6-NITROINDAZOLEA,B1M9M0.91
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.85
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.85
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.74
LL13-pyridin-4-yl-1H-indazoleA3DNE0.73
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.7
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.72
5NI5-NITROINDAZOLEA,B1M8I0.92
5NI5-NITROINDAZOLEA,B1M9Q0.92
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.98
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
INE3-BROMO-7-NITROINDAZOLEA,B1D0O0.77
INE3-BROMO-7-NITROINDAZOLEA,B1M9R0.77
INE3-BROMO-7-NITROINDAZOLEA,B1D0C0.77
INE3-BROMO-7-NITROINDAZOLEA,B1M9T0.77
INE3-BROMO-7-NITROINDAZOLEA,B1OM50.77
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.78
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.72
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.73
5B25-phenyl-1H-indazol-3-amineA3E630.71