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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02372499

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
LZ11H-indazoleA,B3E6I0.84
LZ11H-indazoleA2VTA0.84
5NI5-NITROINDAZOLEA,B1M8I0.77
5NI5-NITROINDAZOLEA,B1M9Q0.77
6NI6-NITROINDAZOLEA,B1M8H0.78
6NI6-NITROINDAZOLEA,B1M9M0.78
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.75
PRLPROFLAVINH,I1BCU0.74
PRLPROFLAVINA,B,D,E1QVT0.74
PRLPROFLAVINA,B2KD40.74
PRLPROFLAVINA1QVU0.74
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.71
5B25-phenyl-1H-indazol-3-amineA3E630.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.71
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE
A,B,C3STD0.83
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.76
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.78
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.73
DRG5,6-DIHYDRO-BENZO[H]CINNOLIN-3-
YLAMINE
A1P4F0.76
7NI7-NITROINDAZOLEA,B1M8E0.73
7NI7-NITROINDAZOLEA,B1FOJ0.73
7NI7-NITROINDAZOLEA,B1M9K0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
THATACRINEA,B2AOW0.74
THATACRINEA,B,C,D,E,F1MX10.74
THATACRINEA,B2AOX0.74
THATACRINEA1ACJ0.74
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.79
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.7
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.79