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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00433776

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPN4-FLUOROPHENOLA,B1XVD0.76
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.83
2MP3,4-DIMETHYLPHENOLA1L5O0.7
3CH3-CHLOROPHENOLA1LI30.71
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.78
2BR2-BROMOPHENOLA,B,C,D2A9W0.71
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.78
IOL4-IODOPHENOLA,B1EWA0.76
PSYphenyl ethenesulfonateA3BM80.77
PSYphenyl ethenesulfonateA3BLT0.77
BML4-BROMOPHENOLA,B,E3DHH0.71
BML4-BROMOPHENOLA,B1XU30.71
BML4-BROMOPHENOLA,B1T0S0.71
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.86
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.86
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.73
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.83
2LP2-ALLYLPHENOLA1OV50.73
IPHPHENOLA,B2OLD0.79
IPHPHENOLA,B,C,D2PZV0.79
IPHPHENOLA1LI20.79
IPHPHENOLA2J9N0.79
IPHPHENOLA,B,C,D2OMB0.79
IPHPHENOLA1JHX0.79
IPHPHENOLA,B,C,D2VE70.79
IPHPHENOLB,D,E,G,H,J,L1AI00.79
IPHPHENOLA,B,C,D1FOH0.79
IPHPHENOLA1V030.79
IPHPHENOLA,C,E,G,I,K5AIY0.79
IPHPHENOLB,D,F,H,J,L1AIY0.79
IPHPHENOLA,B1XU50.79
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.79
IPHPHENOLA,C,E,G,I,K4AIY0.79
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.79
IPHPHENOLA2AS30.79
IPHPHENOLA,B,C,D1ZEG0.79
IPHPHENOLA,B,C,D1PN00.79
IPHPHENOLA,B,C,D1XW70.79
IPHPHENOLA,C,E,G,I,K,M1QIY0.79
IPHPHENOLA,B,C,D1Q4V0.79
IPHPHENOLB1AI70.79
IPHPHENOLA1FJW0.79
IPHPHENOLB,C,D1RWE0.79
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.79
IPHPHENOLB,C,D3GKY0.79
IPHPHENOLA1JHY0.79
IPHPHENOLA,C,E,G,I,K3AIY0.79
IPHPHENOLA,B2OMN0.79
IPHPHENOLA,C,E,G,I,K2AIY0.79
IPHPHENOLA,B,D1MPJ0.79
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.79
IPHPHENOLB,C,D1LPH0.79
8MR(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACIDA,B2OW20.73
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.73
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.73
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.73
RCORESORCINOLA,B,C,D,E,F2OMH0.73
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.73
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.73
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.73
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.73
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
FP22-fluorophenolA3CPO0.76
FFP2,6-DIFLUOROPHENOLA2INX0.74
OBPA,B2DE30.71
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.72
ETY4-ethylphenolA,B,C,D2RA60.73
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.72
ZTWRALOXIFENE COREA,B1GWQ0.71
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
HTS2-MERCAPTOPHENOLA2OSM0.83
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.8