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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03470548

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
A2UW90.72
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.72
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.93
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.81
5B25-phenyl-1H-indazol-3-amineA3E630.73
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.75
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE
A,B,C3STD0.71
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.8
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.91
LL13-pyridin-4-yl-1H-indazoleA3DNE0.74
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.77
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.77
5NI5-NITROINDAZOLEA,B1M8I0.76
5NI5-NITROINDAZOLEA,B1M9Q0.76
6NI6-NITROINDAZOLEA,B1M8H0.76
6NI6-NITROINDAZOLEA,B1M9M0.76
DRG5,6-DIHYDRO-BENZO[H]CINNOLIN-3-
YLAMINE
A1P4F0.71
LZ11H-indazoleA,B3E6I0.83
LZ11H-indazoleA2VTA0.83
7NI7-NITROINDAZOLEA,B1M8E0.75
7NI7-NITROINDAZOLEA,B1FOJ0.75
7NI7-NITROINDAZOLEA,B1M9K0.75
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.76
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.77
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.73