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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01290121

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL70.77
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL60.77
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CE20.77
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2EVW0.77
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL00.77
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CLC0.77
FQX[1,2,5]oxadiazolo[3,4-g]quinoxaline-
6,7(5H,8H)-dione 1-oxide
B,C,D,P3BKI0.72
5NI5-NITROINDAZOLEA,B1M8I0.73
5NI5-NITROINDAZOLEA,B1M9Q0.73
6NI6-NITROINDAZOLEA,B1M8H0.73
6NI6-NITROINDAZOLEA,B1M9M0.73
INE3-BROMO-7-NITROINDAZOLEA,B1D0O0.74
INE3-BROMO-7-NITROINDAZOLEA,B1M9R0.74
INE3-BROMO-7-NITROINDAZOLEA,B1D0C0.74
INE3-BROMO-7-NITROINDAZOLEA,B1M9T0.74
INE3-BROMO-7-NITROINDAZOLEA,B1OM50.74
7NI7-NITROINDAZOLEA,B1M8E0.74
7NI7-NITROINDAZOLEA,B1FOJ0.74
7NI7-NITROINDAZOLEA,B1M9K0.74