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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02210811

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL70.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL60.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CE20.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2EVW0.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL00.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CLC0.72
FQX[1,2,5]oxadiazolo[3,4-g]quinoxaline-
6,7(5H,8H)-dione 1-oxide
B,C,D,P3BKI0.7
5NI5-NITROINDAZOLEA,B1M8I0.75
5NI5-NITROINDAZOLEA,B1M9Q0.75
6NI6-NITROINDAZOLEA,B1M8H0.75
6NI6-NITROINDAZOLEA,B1M9M0.75
7NI7-NITROINDAZOLEA,B1M8E0.78
7NI7-NITROINDAZOLEA,B1FOJ0.78
7NI7-NITROINDAZOLEA,B1M9K0.78
INE3-BROMO-7-NITROINDAZOLEA,B1D0O0.77
INE3-BROMO-7-NITROINDAZOLEA,B1M9R0.77
INE3-BROMO-7-NITROINDAZOLEA,B1D0C0.77
INE3-BROMO-7-NITROINDAZOLEA,B1M9T0.77
INE3-BROMO-7-NITROINDAZOLEA,B1OM50.77
7I27-NITROINDAZOLE-2-CARBOXAMIDINEA,B1FOJ0.71