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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007370

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.72
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.7
FPN4-FLUOROPHENOLA,B1XVD0.76
3CH3-CHLOROPHENOLA1LI30.88
IPHPHENOLA,B2OLD0.78
IPHPHENOLA,B,C,D2PZV0.78
IPHPHENOLA1LI20.78
IPHPHENOLA2J9N0.78
IPHPHENOLA,B,C,D2OMB0.78
IPHPHENOLA1JHX0.78
IPHPHENOLA,B,C,D2VE70.78
IPHPHENOLB,D,E,G,H,J,L1AI00.78
IPHPHENOLA,B,C,D1FOH0.78
IPHPHENOLA1V030.78
IPHPHENOLA,C,E,G,I,K5AIY0.78
IPHPHENOLB,D,F,H,J,L1AIY0.78
IPHPHENOLA,B1XU50.78
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.78
IPHPHENOLA,C,E,G,I,K4AIY0.78
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.78
IPHPHENOLA2AS30.78
IPHPHENOLA,B,C,D1ZEG0.78
IPHPHENOLA,B,C,D1PN00.78
IPHPHENOLA,B,C,D1XW70.78
IPHPHENOLA,C,E,G,I,K,M1QIY0.78
IPHPHENOLA,B,C,D1Q4V0.78
IPHPHENOLB1AI70.78
IPHPHENOLA1FJW0.78
IPHPHENOLB,C,D1RWE0.78
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.78
IPHPHENOLB,C,D3GKY0.78
IPHPHENOLA1JHY0.78
IPHPHENOLA,C,E,G,I,K3AIY0.78
IPHPHENOLA,B2OMN0.78
IPHPHENOLA,C,E,G,I,K2AIY0.78
IPHPHENOLA,B,D1MPJ0.78
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.78
IPHPHENOLB,C,D1LPH0.78
PCIPENTACHLOROPHENOLA,B2GWH0.84
PCIPENTACHLOROPHENOLA,B,C1Y5N0.84
PCIPENTACHLOROPHENOLA,B,C1Y4Z0.84
PCIPENTACHLOROPHENOLA,B,C,E,F,G2VPY0.84
FFP2,6-DIFLUOROPHENOLA2INX0.76
IOL4-IODOPHENOLA,B1EWA0.76
2CH2-CHLOROPHENOLA1WBO0.93
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.78
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.78
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.71
DCNDICLOSANA,B,C,D2PD40.7
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.8
CAQCATECHOLB2BUY0.73
CAQCATECHOLA1KND0.73
CAQCATECHOLB2BUQ0.73
CAQCATECHOLA,B1DLT0.73
CAQCATECHOLA1XEP0.73
CAQCATECHOLA2PUM0.73
HTS2-MERCAPTOPHENOLA2OSM0.71
FP22-fluorophenolA3CPO0.76
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.72
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.72
RCORESORCINOLA,B,C,D,E,F2OMH0.72
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.72
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.72
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.72
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.75
TCLTRICLOSANA,B,C,D2PD30.74
TCLTRICLOSANA,B1P450.74
TCLTRICLOSANA,B,C,D,E,F2B350.74
TCLTRICLOSANA,B1D8A0.74
TCLTRICLOSANA,B1C140.74
TCLTRICLOSANA,B,C,D2QIO0.74
TCLTRICLOSANA,B1NHG0.74
TCLTRICLOSANA1D7O0.74
TCLTRICLOSANA,B,C,D2O2Y0.74
TCLTRICLOSANA,B1UH50.74
TCLTRICLOSANA,B2O2S0.74
TCLTRICLOSANA,B,C,D1QG60.74
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.74
TC72,4,5-trichlorophenolA2VCE0.92
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.71
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.71