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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02214652

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MQ0(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-
DIPHENYL-ALLYLIDENE)-AMINE
A,B,C3STD0.8
LZ11H-indazoleA,B3E6I0.8
LZ11H-indazoleA2VTA0.8
DRG5,6-DIHYDRO-BENZO[H]CINNOLIN-3-
YLAMINE
A1P4F0.76
GVG3-METHYL-4-PHENYL-1H-PYRAZOLEA2UW30.76
L152-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINEA2UW40.75
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.75
VC33-(4-nitrophenyl)-1H-pyrazoleA,B,C,D2VCZ0.74
5NI5-NITROINDAZOLEA,B1M8I0.73
5NI5-NITROINDAZOLEA,B1M9Q0.73
6NI6-NITROINDAZOLEA,B1M8H0.73
6NI6-NITROINDAZOLEA,B1M9M0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
LL13-pyridin-4-yl-1H-indazoleA3DNE0.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.72
PHN1,10-PHENANTHROLINEA1LIH0.72
PHN1,10-PHENANTHROLINEA2LIG0.72
PHN1,10-PHENANTHROLINEA,B2FU70.72
ISQISOQUINOLINEA1GDK0.72
7NI7-NITROINDAZOLEA,B1M8E0.71
7NI7-NITROINDAZOLEA,B1FOJ0.71
7NI7-NITROINDAZOLEA,B1M9K0.71
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71