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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02848858

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.72
PCIPENTACHLOROPHENOLA,B2GWH0.85
PCIPENTACHLOROPHENOLA,B,C1Y5N0.85
PCIPENTACHLOROPHENOLA,B,C1Y4Z0.85
PCIPENTACHLOROPHENOLA,B,C,E,F,G2VPY0.85
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.71
3CH3-CHLOROPHENOLA1LI30.79
DCNDICLOSANA,B,C,D2PD40.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.7
2CH2-CHLOROPHENOLA1WBO0.81
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.7
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
TCLTRICLOSANA,B,C,D2PD30.77
TCLTRICLOSANA,B1P450.77
TCLTRICLOSANA,B,C,D,E,F2B350.77
TCLTRICLOSANA,B1D8A0.77
TCLTRICLOSANA,B1C140.77
TCLTRICLOSANA,B,C,D2QIO0.77
TCLTRICLOSANA,B1NHG0.77
TCLTRICLOSANA1D7O0.77
TCLTRICLOSANA,B,C,D2O2Y0.77
TCLTRICLOSANA,B1UH50.77
TCLTRICLOSANA,B2O2S0.77
TCLTRICLOSANA,B,C,D1QG60.77
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.77
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
TC72,4,5-trichlorophenolA2VCE0.92