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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01248298

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2682-phenoxyethanolA2RBR0.7
FPN4-FLUOROPHENOLA,B1XVD0.76
HTS2-MERCAPTOPHENOLA2OSM0.77
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.72
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.72
IOL4-IODOPHENOLA,B1EWA0.76
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.7
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.77
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.71
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.72
PSYphenyl ethenesulfonateA3BM81
PSYphenyl ethenesulfonateA3BLT1
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
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
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
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
CAQCATECHOLB2BUY0.75
CAQCATECHOLA1KND0.75
CAQCATECHOLB2BUQ0.75
CAQCATECHOLA,B1DLT0.75
CAQCATECHOLA1XEP0.75
CAQCATECHOLA2PUM0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.73
ETY4-ethylphenolA,B,C,D2RA60.72
3CH3-CHLOROPHENOLA1LI30.7
FP22-fluorophenolA3CPO0.76
FFP2,6-DIFLUOROPHENOLA2INX0.74
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.74
2BR2-BROMOPHENOLA,B,C,D2A9W0.7
OBPA,B2DE30.71
BML4-BROMOPHENOLA,B,E3DHH0.7
BML4-BROMOPHENOLA,B1XU30.7
BML4-BROMOPHENOLA,B1T0S0.7
2LP2-ALLYLPHENOLA1OV50.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.78
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.78
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