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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02893848

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.75
EYK2-tert-butylbenzene-1,4-diolB3EYK0.75
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.82
MBD3-METHYLCATECHOLA1KNF0.73
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
FP22-fluorophenolA3CPO0.86
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
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
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.71
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.72
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.7
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.79
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
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
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
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
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.77
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
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.73
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
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.8
CAQCATECHOLB2BUY0.85
CAQCATECHOLA1KND0.85
CAQCATECHOLB2BUQ0.85
CAQCATECHOLA,B1DLT0.85
CAQCATECHOLA1XEP0.85
CAQCATECHOLA2PUM0.85
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.7
PSYphenyl ethenesulfonateA3BM80.8
PSYphenyl ethenesulfonateA3BLT0.8
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
ETY4-ethylphenolA,B,C,D2RA60.77
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
TBP2,4,6-TRIBROMOPHENOLL1E5A0.73
FFP2,6-DIFLUOROPHENOLA2INX0.84
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
MCT4-METHYLCATECHOLA1L4G0.74
MCT4-METHYLCATECHOLA2EHZ0.74
MCT4-METHYLCATECHOLA,B1DMH0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
IOL4-IODOPHENOLA,B1EWA0.86
2LP2-ALLYLPHENOLA1OV50.77
HTS2-MERCAPTOPHENOLA2OSM0.82