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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03422266

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PSYphenyl ethenesulfonateA3BM80.73
PSYphenyl ethenesulfonateA3BLT0.73
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.74
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
HC4A1TS60.72
HC4A3PHY0.72
HC4A3PYP0.72
HC4A1T1C0.72
HC4A1OT60.72
HC4A1TS00.72
HC4A1T1A0.72
HC4A2PYP0.72
HC4A2ZOI0.72
HC4A1OTI0.72
HC4A1XFQ0.72
HC4A2D010.72
HC4A,B,C,D,E,F,
G,H
2O7B0.72
HC4A2ZOH0.72
HC4A1GSW0.72
HC4A2QJ70.72
HC4A1F9I0.72
HC4X1UWP0.72
HC4A2PHY0.72
HC4A1T1B0.72
HC4A1F980.72
HC4A1T190.72
HC4X1UWN0.72
HC4A,B,C,D,E,F,
G,H
2O7F0.72
HC4A1UGU0.72
HC4A1TS80.72
HC4A,B1OTD0.72
HC4A1OTE0.72
HC4A1GSX0.72
HC4A1TS70.72
HC4A2PYR0.72
HC4A1S4S0.72
HC4A1GSV0.72
HC4A2I9V0.72
HC4A2QWS0.72
HC4A1XFN0.72
HC4A1S4R0.72
HC4A1T180.72
HC4A1OTA0.72
HC4A1D7E0.72
HC4A1S1Z0.72
HC4A,B,C1MZU0.72
HC4A,B1ODV0.72
HC4A,B2J3J0.72
HC4A2QJ50.72
HC4A1OTB0.72
HC4A2D020.72
HC4A1OT90.72
HC4A1NWZ0.72
HC4A1S1Y0.72
2CH2-CHLOROPHENOLA1WBO0.72
IOL4-IODOPHENOLA,B1EWA0.8
2682-phenoxyethanolA2RBR0.72
FPN4-FLUOROPHENOLA,B1XVD0.8
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.78
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.7
HTS2-MERCAPTOPHENOLA2OSM0.75
CRSM-CRESOLA,B,C,D1EV30.77
CRSM-CRESOLA,B,C,D,E,F2OMG0.77
CRSM-CRESOLA,B1UZ90.77
CRSM-CRESOLA,B,C,D1ZEH0.77
CRSM-CRESOLA,B,C,D,E,F1ZEI0.77
CRSM-CRESOLA,C,D,E7INS0.77
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
2612-ethoxyphenolX2RB10.74
2LP2-ALLYLPHENOLA1OV50.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.77
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
MBD3-METHYLCATECHOLA1KNF0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
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,D1Y0G0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.75
CAQCATECHOLB2BUY0.79
CAQCATECHOLA1KND0.79
CAQCATECHOLB2BUQ0.79
CAQCATECHOLA,B1DLT0.79
CAQCATECHOLA1XEP0.79
CAQCATECHOLA2PUM0.79
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.82
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.78
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.78
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.76
ETY4-ethylphenolA,B,C,D2RA60.78
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.72
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.72
BML4-BROMOPHENOLA,B,E3DHH0.74
BML4-BROMOPHENOLA,B1XU30.74
BML4-BROMOPHENOLA,B1T0S0.74
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.72
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.78
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.8
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.8
PCRP-CRESOLA1JHV0.78
PCRP-CRESOLA1JHU0.78
PCRP-CRESOLA,B,C,D1DIQ0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.7
2BR2-BROMOPHENOLA,B,C,D2A9W0.74
3CH3-CHLOROPHENOLA1LI30.74
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.88
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
FFP2,6-DIFLUOROPHENOLA2INX0.78
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.77
IPHPHENOLA,B2OLD0.83
IPHPHENOLA,B,C,D2PZV0.83
IPHPHENOLA1LI20.83
IPHPHENOLA2J9N0.83
IPHPHENOLA,B,C,D2OMB0.83
IPHPHENOLA1JHX0.83
IPHPHENOLA,B,C,D2VE70.83
IPHPHENOLB,D,E,G,H,J,L1AI00.83
IPHPHENOLA,B,C,D1FOH0.83
IPHPHENOLA1V030.83
IPHPHENOLA,C,E,G,I,K5AIY0.83
IPHPHENOLB,D,F,H,J,L1AIY0.83
IPHPHENOLA,B1XU50.83
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.83
IPHPHENOLA,C,E,G,I,K4AIY0.83
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.83
IPHPHENOLA2AS30.83
IPHPHENOLA,B,C,D1ZEG0.83
IPHPHENOLA,B,C,D1PN00.83
IPHPHENOLA,B,C,D1XW70.83
IPHPHENOLA,C,E,G,I,K,M1QIY0.83
IPHPHENOLA,B,C,D1Q4V0.83
IPHPHENOLB1AI70.83
IPHPHENOLA1FJW0.83
IPHPHENOLB,C,D1RWE0.83
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.83
IPHPHENOLB,C,D3GKY0.83
IPHPHENOLA1JHY0.83
IPHPHENOLA,C,E,G,I,K3AIY0.83
IPHPHENOLA,B2OMN0.83
IPHPHENOLA,C,E,G,I,K2AIY0.83
IPHPHENOLA,B,D1MPJ0.83
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.83
IPHPHENOLB,C,D1LPH0.83
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
FP22-fluorophenolA3CPO0.8
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.78
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.78
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.78
RCORESORCINOLA,B,C,D,E,F2OMH0.78
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.78
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.78
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.78
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.78
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.74
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.77