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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396451

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.78
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.78
6NI6-NITROINDAZOLEA,B1M8H0.77
6NI6-NITROINDAZOLEA,B1M9M0.77
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.84
LZ11H-indazoleA,B3E6I0.84
LZ11H-indazoleA2VTA0.84
5NI5-NITROINDAZOLEA,B1M8I0.77
5NI5-NITROINDAZOLEA,B1M9Q0.77
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.81
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.83
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.7
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.84
5B25-phenyl-1H-indazol-3-amineA3E630.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.83
7NI7-NITROINDAZOLEA,B1M8E0.73
7NI7-NITROINDAZOLEA,B1FOJ0.73
7NI7-NITROINDAZOLEA,B1M9K0.73
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.84
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.77
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.73