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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02305715

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.7
FP22-fluorophenolA3CPO0.74
2BR2-BROMOPHENOLA,B,C,D2A9W0.88
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.8
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.8
TBP2,4,6-TRIBROMOPHENOLL1E5A0.88
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.71
BML4-BROMOPHENOLA,B,E3DHH0.88
BML4-BROMOPHENOLA,B1XU30.88
BML4-BROMOPHENOLA,B1T0S0.88
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.75
CAQCATECHOLB2BUY0.73
CAQCATECHOLA1KND0.73
CAQCATECHOLB2BUQ0.73
CAQCATECHOLA,B1DLT0.73
CAQCATECHOLA1XEP0.73
CAQCATECHOLA2PUM0.73
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.84
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.84
RCORESORCINOLA,B,C,D,E,F2OMH0.84
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.84
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.84
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.84
IOL4-IODOPHENOLA,B1EWA0.74
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.77
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.77
IPHPHENOLA,B2OLD0.76
IPHPHENOLA,B,C,D2PZV0.76
IPHPHENOLA1LI20.76
IPHPHENOLA2J9N0.76
IPHPHENOLA,B,C,D2OMB0.76
IPHPHENOLA1JHX0.76
IPHPHENOLA,B,C,D2VE70.76
IPHPHENOLB,D,E,G,H,J,L1AI00.76
IPHPHENOLA,B,C,D1FOH0.76
IPHPHENOLA1V030.76
IPHPHENOLA,C,E,G,I,K5AIY0.76
IPHPHENOLB,D,F,H,J,L1AIY0.76
IPHPHENOLA,B1XU50.76
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.76
IPHPHENOLA,C,E,G,I,K4AIY0.76
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.76
IPHPHENOLA2AS30.76
IPHPHENOLA,B,C,D1ZEG0.76
IPHPHENOLA,B,C,D1PN00.76
IPHPHENOLA,B,C,D1XW70.76
IPHPHENOLA,C,E,G,I,K,M1QIY0.76
IPHPHENOLA,B,C,D1Q4V0.76
IPHPHENOLB1AI70.76
IPHPHENOLA1FJW0.76
IPHPHENOLB,C,D1RWE0.76
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.76
IPHPHENOLB,C,D3GKY0.76
IPHPHENOLA1JHY0.76
IPHPHENOLA,C,E,G,I,K3AIY0.76
IPHPHENOLA,B2OMN0.76
IPHPHENOLA,C,E,G,I,K2AIY0.76
IPHPHENOLA,B,D1MPJ0.76
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.76
IPHPHENOLB,C,D1LPH0.76
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
PBRPENTABROMOPHENOLA,B1E4H0.78
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.76
STLRESVERATROLA,B3CKL0.72
STLRESVERATROLA,B,C,D1U0W0.72
STLRESVERATROLA1CGZ0.72
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.72
STLRESVERATROLA1Z1F0.72
STLRESVERATROLA1DVS0.72
STLRESVERATROLA,B1SG00.72
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.76
FPN4-FLUOROPHENOLA,B1XVD0.74
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.73
FFP2,6-DIFLUOROPHENOLA2INX0.72