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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03495070

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2612-ethoxyphenolX2RB10.72
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.8
MBD3-METHYLCATECHOLA1KNF0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.8
CAQCATECHOLB2BUY0.82
CAQCATECHOLA1KND0.82
CAQCATECHOLB2BUQ0.82
CAQCATECHOLA,B1DLT0.82
CAQCATECHOLA1XEP0.82
CAQCATECHOLA2PUM0.82
MCT4-METHYLCATECHOLA1L4G0.76
MCT4-METHYLCATECHOLA2EHZ0.76
MCT4-METHYLCATECHOLA,B1DMH0.76
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
FFP2,6-DIFLUOROPHENOLA2INX0.71
PSYphenyl ethenesulfonateA3BM80.72
PSYphenyl ethenesulfonateA3BLT0.72
FP22-fluorophenolA3CPO0.73
HTS2-MERCAPTOPHENOLA2OSM0.84
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
ETY4-ethylphenolA,B,C,D2RA60.7
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.82
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.82
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
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.8
IOL4-IODOPHENOLA,B1EWA0.73
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.77
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.77
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.76
FPN4-FLUOROPHENOLA,B1XVD0.73
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
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.79
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.74
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.73
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.73
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.8
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71