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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02114058

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.85
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.85
LL13-pyridin-4-yl-1H-indazoleA3DNE0.72
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.81
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.84
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.7
5NI5-NITROINDAZOLEA,B1M8I0.76
5NI5-NITROINDAZOLEA,B1M9Q0.76
6NI6-NITROINDAZOLEA,B1M8H0.76
6NI6-NITROINDAZOLEA,B1M9M0.76
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.84
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW90.79
GVP4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-
4-YL)PHENYL]PIPERIDINE
A2UW70.79
LZ11H-indazoleA,B3E6I0.83
LZ11H-indazoleA2VTA0.83
7NI7-NITROINDAZOLEA,B1M8E0.73
7NI7-NITROINDAZOLEA,B1FOJ0.73
7NI7-NITROINDAZOLEA,B1M9K0.73
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.78
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.85