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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02408681

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTS2-MERCAPTOPHENOLA2OSM0.86
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.84
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.84
HC4A1TS60.7
HC4A3PHY0.7
HC4A3PYP0.7
HC4A1T1C0.7
HC4A1OT60.7
HC4A1TS00.7
HC4A1T1A0.7
HC4A2PYP0.7
HC4A2ZOI0.7
HC4A1OTI0.7
HC4A1XFQ0.7
HC4A2D010.7
HC4A,B,C,D,E,F,
G,H
2O7B0.7
HC4A2ZOH0.7
HC4A1GSW0.7
HC4A2QJ70.7
HC4A1F9I0.7
HC4X1UWP0.7
HC4A2PHY0.7
HC4A1T1B0.7
HC4A1F980.7
HC4A1T190.7
HC4X1UWN0.7
HC4A,B,C,D,E,F,
G,H
2O7F0.7
HC4A1UGU0.7
HC4A1TS80.7
HC4A,B1OTD0.7
HC4A1OTE0.7
HC4A1GSX0.7
HC4A1TS70.7
HC4A2PYR0.7
HC4A1S4S0.7
HC4A1GSV0.7
HC4A2I9V0.7
HC4A2QWS0.7
HC4A1XFN0.7
HC4A1S4R0.7
HC4A1T180.7
HC4A1OTA0.7
HC4A1D7E0.7
HC4A1S1Z0.7
HC4A,B,C1MZU0.7
HC4A,B1ODV0.7
HC4A,B2J3J0.7
HC4A2QJ50.7
HC4A1OTB0.7
HC4A2D020.7
HC4A1OT90.7
HC4A1NWZ0.7
HC4A1S1Y0.7
2CH2-CHLOROPHENOLA1WBO0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
FPN4-FLUOROPHENOLA,B1XVD0.79
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.82
IOL4-IODOPHENOLA,B1EWA0.79
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.74
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.7
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.73
CAQCATECHOLB2BUY0.76
CAQCATECHOLA1KND0.76
CAQCATECHOLB2BUQ0.76
CAQCATECHOLA,B1DLT0.76
CAQCATECHOLA1XEP0.76
CAQCATECHOLA2PUM0.76
PSYphenyl ethenesulfonateA3BM80.78
PSYphenyl ethenesulfonateA3BLT0.78
MBD3-METHYLCATECHOLA1KNF0.7
ZTWRALOXIFENE COREA,B1GWQ0.7
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
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
OBPA,B2DE30.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.74
PCRP-CRESOLA1JHV0.77
PCRP-CRESOLA1JHU0.77
PCRP-CRESOLA,B,C,D1DIQ0.77
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.7
2BR2-BROMOPHENOLA,B,C,D2A9W0.73
8MR(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACIDA,B2OW20.73
FP22-fluorophenolA3CPO0.79
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.82
2LP2-ALLYLPHENOLA1OV50.75
ETY4-ethylphenolA,B,C,D2RA60.77
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.73
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.73
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
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.72
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
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.81
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.79
3CH3-CHLOROPHENOLA1LI30.73
CRSM-CRESOLA,B,C,D1EV30.76
CRSM-CRESOLA,B,C,D,E,F2OMG0.76
CRSM-CRESOLA,B1UZ90.76
CRSM-CRESOLA,B,C,D1ZEH0.76
CRSM-CRESOLA,B,C,D,E,F1ZEI0.76
CRSM-CRESOLA,C,D,E7INS0.76
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.76
FFP2,6-DIFLUOROPHENOLA2INX0.77