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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813318

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FP22-fluorophenolA3CPO0.72
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.76
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.76
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.71
PSYphenyl ethenesulfonateA3BM80.75
PSYphenyl ethenesulfonateA3BLT0.75
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.73
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.73
OBPA,B2DE30.74
CAQCATECHOLB2BUY0.81
CAQCATECHOLA1KND0.81
CAQCATECHOLB2BUQ0.81
CAQCATECHOLA,B1DLT0.81
CAQCATECHOLA1XEP0.81
CAQCATECHOLA2PUM0.81
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.78
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.76
FFP2,6-DIFLUOROPHENOLA2INX0.71
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.74
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.79
IPHPHENOLA,B2OLD0.75
IPHPHENOLA,B,C,D2PZV0.75
IPHPHENOLA1LI20.75
IPHPHENOLA2J9N0.75
IPHPHENOLA,B,C,D2OMB0.75
IPHPHENOLA1JHX0.75
IPHPHENOLA,B,C,D2VE70.75
IPHPHENOLB,D,E,G,H,J,L1AI00.75
IPHPHENOLA,B,C,D1FOH0.75
IPHPHENOLA1V030.75
IPHPHENOLA,C,E,G,I,K5AIY0.75
IPHPHENOLB,D,F,H,J,L1AIY0.75
IPHPHENOLA,B1XU50.75
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.75
IPHPHENOLA,C,E,G,I,K4AIY0.75
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.75
IPHPHENOLA2AS30.75
IPHPHENOLA,B,C,D1ZEG0.75
IPHPHENOLA,B,C,D1PN00.75
IPHPHENOLA,B,C,D1XW70.75
IPHPHENOLA,C,E,G,I,K,M1QIY0.75
IPHPHENOLA,B,C,D1Q4V0.75
IPHPHENOLB1AI70.75
IPHPHENOLA1FJW0.75
IPHPHENOLB,C,D1RWE0.75
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.75
IPHPHENOLB,C,D3GKY0.75
IPHPHENOLA1JHY0.75
IPHPHENOLA,C,E,G,I,K3AIY0.75
IPHPHENOLA,B2OMN0.75
IPHPHENOLA,C,E,G,I,K2AIY0.75
IPHPHENOLA,B,D1MPJ0.75
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.75
IPHPHENOLB,C,D1LPH0.75
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.71
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.71
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.71
RCORESORCINOLA,B,C,D,E,F2OMH0.71
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.71
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.71
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.71
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.71
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.73
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.73
FPN4-FLUOROPHENOLA,B1XVD0.72
IOL4-IODOPHENOLA,B1EWA0.72
MBD3-METHYLCATECHOLA1KNF0.71
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.74
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.74
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.71
HTS2-MERCAPTOPHENOLA2OSM0.83