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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007701

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTS2-MERCAPTOPHENOLA2OSM0.7
IPHPHENOLA,B2OLD0.77
IPHPHENOLA,B,C,D2PZV0.77
IPHPHENOLA1LI20.77
IPHPHENOLA2J9N0.77
IPHPHENOLA,B,C,D2OMB0.77
IPHPHENOLA1JHX0.77
IPHPHENOLA,B,C,D2VE70.77
IPHPHENOLB,D,E,G,H,J,L1AI00.77
IPHPHENOLA,B,C,D1FOH0.77
IPHPHENOLA1V030.77
IPHPHENOLA,C,E,G,I,K5AIY0.77
IPHPHENOLB,D,F,H,J,L1AIY0.77
IPHPHENOLA,B1XU50.77
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.77
IPHPHENOLA,C,E,G,I,K4AIY0.77
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.77
IPHPHENOLA2AS30.77
IPHPHENOLA,B,C,D1ZEG0.77
IPHPHENOLA,B,C,D1PN00.77
IPHPHENOLA,B,C,D1XW70.77
IPHPHENOLA,C,E,G,I,K,M1QIY0.77
IPHPHENOLA,B,C,D1Q4V0.77
IPHPHENOLB1AI70.77
IPHPHENOLA1FJW0.77
IPHPHENOLB,C,D1RWE0.77
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.77
IPHPHENOLB,C,D3GKY0.77
IPHPHENOLA1JHY0.77
IPHPHENOLA,C,E,G,I,K3AIY0.77
IPHPHENOLA,B2OMN0.77
IPHPHENOLA,C,E,G,I,K2AIY0.77
IPHPHENOLA,B,D1MPJ0.77
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.77
IPHPHENOLB,C,D1LPH0.77
PCIPENTACHLOROPHENOLA,B2GWH0.73
PCIPENTACHLOROPHENOLA,B,C1Y5N0.73
PCIPENTACHLOROPHENOLA,B,C1Y4Z0.73
PCIPENTACHLOROPHENOLA,B,C,E,F,G2VPY0.73
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.81
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.81
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.76
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.76
3CH3-CHLOROPHENOLA1LI30.87
2CH2-CHLOROPHENOLA1WBO0.91
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.73
TC72,4,5-trichlorophenolA2VCE0.82
FP22-fluorophenolA3CPO0.75
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.77
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.72
FFP2,6-DIFLUOROPHENOLA2INX0.73
STLRESVERATROLA,B3CKL0.73
STLRESVERATROLA,B,C,D1U0W0.73
STLRESVERATROLA1CGZ0.73
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.73
STLRESVERATROLA1Z1F0.73
STLRESVERATROLA1DVS0.73
STLRESVERATROLA,B1SG00.73
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.85
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.85
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.85
RCORESORCINOLA,B,C,D,E,F2OMH0.85
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.85
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.85
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.85
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.85
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.71
IOL4-IODOPHENOLA,B1EWA0.75
TCLTRICLOSANA,B,C,D2PD30.72
TCLTRICLOSANA,B1P450.72
TCLTRICLOSANA,B,C,D,E,F2B350.72
TCLTRICLOSANA,B1D8A0.72
TCLTRICLOSANA,B1C140.72
TCLTRICLOSANA,B,C,D2QIO0.72
TCLTRICLOSANA,B1NHG0.72
TCLTRICLOSANA1D7O0.72
TCLTRICLOSANA,B,C,D2O2Y0.72
TCLTRICLOSANA,B1UH50.72
TCLTRICLOSANA,B2O2S0.72
TCLTRICLOSANA,B,C,D1QG60.72
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.72
FPN4-FLUOROPHENOLA,B1XVD0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.79