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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00065376

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.71
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.74
5NI5-NITROINDAZOLEA,B1M8I0.73
5NI5-NITROINDAZOLEA,B1M9Q0.73
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.7
6NI6-NITROINDAZOLEA,B1M8H0.73
6NI6-NITROINDAZOLEA,B1M9M0.73
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
7NI7-NITROINDAZOLEA,B1M8E0.72
7NI7-NITROINDAZOLEA,B1FOJ0.72
7NI7-NITROINDAZOLEA,B1M9K0.72
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.74
FRZ5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-
3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-
3-AMINE
A1TVO0.76
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.78
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.88
5B15-bromo-1H-indazol-3-amineA3E620.71
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.87
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.78
LZ11H-indazoleA,B3E6I0.79
LZ11H-indazoleA2VTA0.79
5B25-phenyl-1H-indazol-3-amineA3E630.76