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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03384549

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.82
PSYphenyl ethenesulfonateA3BM80.73
PSYphenyl ethenesulfonateA3BLT0.73
MBD3-METHYLCATECHOLA1KNF0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
PCRP-CRESOLA1JHV0.79
PCRP-CRESOLA1JHU0.79
PCRP-CRESOLA,B,C,D1DIQ0.79
3CH3-CHLOROPHENOLA1LI30.79
2CH2-CHLOROPHENOLA1WBO0.77
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.79
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.79
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
FP22-fluorophenolA3CPO0.86
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
BML4-BROMOPHENOLA,B,E3DHH0.79
BML4-BROMOPHENOLA,B1XU30.79
BML4-BROMOPHENOLA,B1T0S0.79
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
2MP3,4-DIMETHYLPHENOLA1L5O0.74
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
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
2BR2-BROMOPHENOLA,B,C,D2A9W0.79
STLRESVERATROLA,B3CKL0.71
STLRESVERATROLA,B,C,D1U0W0.71
STLRESVERATROLA1CGZ0.71
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.71
STLRESVERATROLA1Z1F0.71
STLRESVERATROLA1DVS0.71
STLRESVERATROLA,B1SG00.71
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.8
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.8
HC4A1TS60.73
HC4A3PHY0.73
HC4A3PYP0.73
HC4A1T1C0.73
HC4A1OT60.73
HC4A1TS00.73
HC4A1T1A0.73
HC4A2PYP0.73
HC4A2ZOI0.73
HC4A1OTI0.73
HC4A1XFQ0.73
HC4A2D010.73
HC4A,B,C,D,E,F,
G,H
2O7B0.73
HC4A2ZOH0.73
HC4A1GSW0.73
HC4A2QJ70.73
HC4A1F9I0.73
HC4X1UWP0.73
HC4A2PHY0.73
HC4A1T1B0.73
HC4A1F980.73
HC4A1T190.73
HC4X1UWN0.73
HC4A,B,C,D,E,F,
G,H
2O7F0.73
HC4A1UGU0.73
HC4A1TS80.73
HC4A,B1OTD0.73
HC4A1OTE0.73
HC4A1GSX0.73
HC4A1TS70.73
HC4A2PYR0.73
HC4A1S4S0.73
HC4A1GSV0.73
HC4A2I9V0.73
HC4A2QWS0.73
HC4A1XFN0.73
HC4A1S4R0.73
HC4A1T180.73
HC4A1OTA0.73
HC4A1D7E0.73
HC4A1S1Z0.73
HC4A,B,C1MZU0.73
HC4A,B1ODV0.73
HC4A,B2J3J0.73
HC4A2QJ50.73
HC4A1OTB0.73
HC4A2D020.73
HC4A1OT90.73
HC4A1NWZ0.73
HC4A1S1Y0.73
CRSM-CRESOLA,B,C,D1EV30.78
CRSM-CRESOLA,B,C,D,E,F2OMG0.78
CRSM-CRESOLA,B1UZ90.78
CRSM-CRESOLA,B,C,D1ZEH0.78
CRSM-CRESOLA,B,C,D,E,F1ZEI0.78
CRSM-CRESOLA,C,D,E7INS0.78
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.78
IPHPHENOLA,B2OLD0.89
IPHPHENOLA,B,C,D2PZV0.89
IPHPHENOLA1LI20.89
IPHPHENOLA2J9N0.89
IPHPHENOLA,B,C,D2OMB0.89
IPHPHENOLA1JHX0.89
IPHPHENOLA,B,C,D2VE70.89
IPHPHENOLB,D,E,G,H,J,L1AI00.89
IPHPHENOLA,B,C,D1FOH0.89
IPHPHENOLA1V030.89
IPHPHENOLA,C,E,G,I,K5AIY0.89
IPHPHENOLB,D,F,H,J,L1AIY0.89
IPHPHENOLA,B1XU50.89
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.89
IPHPHENOLA,C,E,G,I,K4AIY0.89
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.89
IPHPHENOLA2AS30.89
IPHPHENOLA,B,C,D1ZEG0.89
IPHPHENOLA,B,C,D1PN00.89
IPHPHENOLA,B,C,D1XW70.89
IPHPHENOLA,C,E,G,I,K,M1QIY0.89
IPHPHENOLA,B,C,D1Q4V0.89
IPHPHENOLB1AI70.89
IPHPHENOLA1FJW0.89
IPHPHENOLB,C,D1RWE0.89
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.89
IPHPHENOLB,C,D3GKY0.89
IPHPHENOLA1JHY0.89
IPHPHENOLA,C,E,G,I,K3AIY0.89
IPHPHENOLA,B2OMN0.89
IPHPHENOLA,C,E,G,I,K2AIY0.89
IPHPHENOLA,B,D1MPJ0.89
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.89
IPHPHENOLB,C,D1LPH0.89
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
CAQCATECHOLB2BUY0.85
CAQCATECHOLA1KND0.85
CAQCATECHOLB2BUQ0.85
CAQCATECHOLA,B1DLT0.85
CAQCATECHOLA1XEP0.85
CAQCATECHOLA2PUM0.85
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.84
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.84
RCORESORCINOLA,B,C,D,E,F2OMH0.84
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.84
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.84
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.84
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
FPN4-FLUOROPHENOLA,B1XVD0.86
IOL4-IODOPHENOLA,B1EWA0.93
ETY4-ethylphenolA,B,C,D2RA60.77
TBP2,4,6-TRIBROMOPHENOLL1E5A0.75
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
FFP2,6-DIFLUOROPHENOLA2INX0.84
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
MCT4-METHYLCATECHOLA1L4G0.74
MCT4-METHYLCATECHOLA2EHZ0.74
MCT4-METHYLCATECHOLA,B1DMH0.74
HTS2-MERCAPTOPHENOLA2OSM0.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
2LP2-ALLYLPHENOLA1OV50.77