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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020571

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTS2-MERCAPTOPHENOLA2OSM0.86
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.79
FFP2,6-DIFLUOROPHENOLA2INX0.83
2CH2-CHLOROPHENOLA1WBO0.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.74
IOL4-IODOPHENOLA,B1EWA0.79
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.76
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
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.7
CAQCATECHOLB2BUY0.76
CAQCATECHOLA1KND0.76
CAQCATECHOLB2BUQ0.76
CAQCATECHOLA,B1DLT0.76
CAQCATECHOLA1XEP0.76
CAQCATECHOLA2PUM0.76
PSYphenyl ethenesulfonateA3BM80.72
PSYphenyl ethenesulfonateA3BLT0.72
FPN4-FLUOROPHENOLA,B1XVD0.83
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.76
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.76
RCORESORCINOLA,B,C,D,E,F2OMH0.76
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.76
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.76
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.76
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.71
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.73
8MR(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACIDA,B2OW20.73
ETY4-ethylphenolA,B,C,D2RA60.72
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.8
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.72
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.72
BML4-BROMOPHENOLA,B,E3DHH0.73
BML4-BROMOPHENOLA,B1XU30.73
BML4-BROMOPHENOLA,B1T0S0.73
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.79
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.79
IPHPHENOLA,B2OLD0.82
IPHPHENOLA,B,C,D2PZV0.82
IPHPHENOLA1LI20.82
IPHPHENOLA2J9N0.82
IPHPHENOLA,B,C,D2OMB0.82
IPHPHENOLA1JHX0.82
IPHPHENOLA,B,C,D2VE70.82
IPHPHENOLB,D,E,G,H,J,L1AI00.82
IPHPHENOLA,B,C,D1FOH0.82
IPHPHENOLA1V030.82
IPHPHENOLA,C,E,G,I,K5AIY0.82
IPHPHENOLB,D,F,H,J,L1AIY0.82
IPHPHENOLA,B1XU50.82
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.82
IPHPHENOLA,C,E,G,I,K4AIY0.82
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.82
IPHPHENOLA2AS30.82
IPHPHENOLA,B,C,D1ZEG0.82
IPHPHENOLA,B,C,D1PN00.82
IPHPHENOLA,B,C,D1XW70.82
IPHPHENOLA,C,E,G,I,K,M1QIY0.82
IPHPHENOLA,B,C,D1Q4V0.82
IPHPHENOLB1AI70.82
IPHPHENOLA1FJW0.82
IPHPHENOLB,C,D1RWE0.82
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.82
IPHPHENOLB,C,D3GKY0.82
IPHPHENOLA1JHY0.82
IPHPHENOLA,C,E,G,I,K3AIY0.82
IPHPHENOLA,B2OMN0.82
IPHPHENOLA,C,E,G,I,K2AIY0.82
IPHPHENOLA,B,D1MPJ0.82
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.82
IPHPHENOLB,C,D1LPH0.82
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.82
FP22-fluorophenolA3CPO0.83
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.81
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
3CH3-CHLOROPHENOLA1LI30.73
2LP2-ALLYLPHENOLA1OV50.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.78