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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
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.86
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.86
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.83
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.83
HTS2-MERCAPTOPHENOLA2OSM0.83
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.8
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
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.78
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.78
PSYphenyl ethenesulfonateA3BM80.77
PSYphenyl ethenesulfonateA3BLT0.77
FPN4-FLUOROPHENOLA,B1XVD0.76
IOL4-IODOPHENOLA,B1EWA0.76
FP22-fluorophenolA3CPO0.76
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
FFP2,6-DIFLUOROPHENOLA2INX0.74
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.73
2LP2-ALLYLPHENOLA1OV50.73
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
ETY4-ethylphenolA,B,C,D2RA60.73
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
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
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.72
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.72
3CH3-CHLOROPHENOLA1LI30.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.71
BML4-BROMOPHENOLA,B,E3DHH0.71
BML4-BROMOPHENOLA,B1XU30.71
BML4-BROMOPHENOLA,B1T0S0.71
OBPA,B2DE30.71
ZTWRALOXIFENE COREA,B1GWQ0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.7