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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03224454

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTS2-MERCAPTOPHENOLA2OSM0.86
FPN4-FLUOROPHENOLA,B1XVD0.76
IPHPHENOLA,B2OLD0.78
IPHPHENOLA,B,C,D2PZV0.78
IPHPHENOLA1LI20.78
IPHPHENOLA2J9N0.78
IPHPHENOLA,B,C,D2OMB0.78
IPHPHENOLA1JHX0.78
IPHPHENOLA,B,C,D2VE70.78
IPHPHENOLB,D,E,G,H,J,L1AI00.78
IPHPHENOLA,B,C,D1FOH0.78
IPHPHENOLA1V030.78
IPHPHENOLA,C,E,G,I,K5AIY0.78
IPHPHENOLB,D,F,H,J,L1AIY0.78
IPHPHENOLA,B1XU50.78
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.78
IPHPHENOLA,C,E,G,I,K4AIY0.78
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.78
IPHPHENOLA2AS30.78
IPHPHENOLA,B,C,D1ZEG0.78
IPHPHENOLA,B,C,D1PN00.78
IPHPHENOLA,B,C,D1XW70.78
IPHPHENOLA,C,E,G,I,K,M1QIY0.78
IPHPHENOLA,B,C,D1Q4V0.78
IPHPHENOLB1AI70.78
IPHPHENOLA1FJW0.78
IPHPHENOLB,C,D1RWE0.78
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.78
IPHPHENOLB,C,D3GKY0.78
IPHPHENOLA1JHY0.78
IPHPHENOLA,C,E,G,I,K3AIY0.78
IPHPHENOLA,B2OMN0.78
IPHPHENOLA,C,E,G,I,K2AIY0.78
IPHPHENOLA,B,D1MPJ0.78
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.78
IPHPHENOLB,C,D1LPH0.78
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.74
OBPA,B2DE30.74
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.85
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.85
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.88
PSYphenyl ethenesulfonateA3BM80.78
PSYphenyl ethenesulfonateA3BLT0.78
IOL4-IODOPHENOLA,B1EWA0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.76
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.76
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.74
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.74
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.74
RCORESORCINOLA,B,C,D,E,F2OMH0.74
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.74
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.74
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.74
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.74
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.7
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.7
8MR(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACIDA,B2OW20.73
CAQCATECHOLB2BUY0.75
CAQCATECHOLA1KND0.75
CAQCATECHOLB2BUQ0.75
CAQCATECHOLA,B1DLT0.75
CAQCATECHOLA1XEP0.75
CAQCATECHOLA2PUM0.75
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.82
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.73
ETY4-ethylphenolA,B,C,D2RA60.72
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.73
3CH3-CHLOROPHENOLA1LI30.7
FP22-fluorophenolA3CPO0.76
FFP2,6-DIFLUOROPHENOLA2INX0.74
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.7
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.83
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
2LP2-ALLYLPHENOLA1OV50.7
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.81
BML4-BROMOPHENOLA,B,E3DHH0.7
BML4-BROMOPHENOLA,B1XU30.7
BML4-BROMOPHENOLA,B1T0S0.7