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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02439289

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.81
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.84
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1UKI0.72
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A1PMV0.72
5372,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-
6-ONE
A2ZMD0.72
5B25-phenyl-1H-indazol-3-amineA3E630.77
GVN(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW50.71
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.76
7NI7-NITROINDAZOLEA,B1M8E0.83
7NI7-NITROINDAZOLEA,B1FOJ0.83
7NI7-NITROINDAZOLEA,B1M9K0.83
6NI6-NITROINDAZOLEA,B1M8H0.85
6NI6-NITROINDAZOLEA,B1M9M0.85
5NI5-NITROINDAZOLEA,B1M8I0.87
5NI5-NITROINDAZOLEA,B1M9Q0.87
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.72
L024-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-
5-YL]PIPERIDINE
B,I1WAY0.7
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.82
LL13-pyridin-4-yl-1H-indazoleA3DNE0.79
GVO(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-
PYRAZOL-4-YL)PHENYL]ETHANAMINE
A2UW60.71
5B15-bromo-1H-indazol-3-amineA3E620.76
INE3-BROMO-7-NITROINDAZOLEA,B1D0O0.72
INE3-BROMO-7-NITROINDAZOLEA,B1M9R0.72
INE3-BROMO-7-NITROINDAZOLEA,B1D0C0.72
INE3-BROMO-7-NITROINDAZOLEA,B1M9T0.72
INE3-BROMO-7-NITROINDAZOLEA,B1OM50.72
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.71
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.71
LZ11H-indazoleA,B3E6I0.94
LZ11H-indazoleA2VTA0.94
4223-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)-1H-
INDAZOLE-6-CARBONITRILE
A2HXL0.71