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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01305428

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.81
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.79
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.7
PHQFORMIC ACID BENZYL ESTERA1KJO0.7
PHQFORMIC ACID BENZYL ESTERI2CDR0.7
PHQFORMIC ACID BENZYL ESTERI2C1E0.7
PHQFORMIC ACID BENZYL ESTERI5PAD0.7
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.7
PHQFORMIC ACID BENZYL ESTERA2CNO0.7
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.7
PHQFORMIC ACID BENZYL ESTERI2AZ90.7
PHQFORMIC ACID BENZYL ESTERI2C2K0.7
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.7
PHQFORMIC ACID BENZYL ESTERA1KJP0.7
PHQFORMIC ACID BENZYL ESTERI2C2M0.7
PHQFORMIC ACID BENZYL ESTERI2AZB0.7
PHQFORMIC ACID BENZYL ESTERA9HVP0.7
PHQFORMIC ACID BENZYL ESTERA1ESB0.7
PHQFORMIC ACID BENZYL ESTERE,F1DY80.7
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.7
PHQFORMIC ACID BENZYL ESTERI1GEC0.7
PHQFORMIC ACID BENZYL ESTERA1KS70.7
PHQFORMIC ACID BENZYL ESTERC1A8G0.7
PHQFORMIC ACID BENZYL ESTERA1KKK0.7
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.7
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.7
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.7
PHQFORMIC ACID BENZYL ESTERA1KTO0.7
PHQFORMIC ACID BENZYL ESTERA,C1TG10.7
PHQFORMIC ACID BENZYL ESTERI2AZ80.7
PHQFORMIC ACID BENZYL ESTERA,B2G580.7
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.7
PHQFORMIC ACID BENZYL ESTERI2CJY0.7
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.7
PHQFORMIC ACID BENZYL ESTERA1KR60.7
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.7
PHQFORMIC ACID BENZYL ESTERA1KRO0.7
PHQFORMIC ACID BENZYL ESTERI2CNN0.7
PHQFORMIC ACID BENZYL ESTERI2C2O0.7
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.7
PHQFORMIC ACID BENZYL ESTERA,B1THE0.7
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.7
PHQFORMIC ACID BENZYL ESTERE,I5EST0.7
PHQFORMIC ACID BENZYL ESTERI2CNK0.7
PHQFORMIC ACID BENZYL ESTERA1KL60.7
PHQFORMIC ACID BENZYL ESTERI6PAD0.7
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.7
2MP3,4-DIMETHYLPHENOLA1L5O0.72
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.74
BZFBENZOFURANA182L0.76
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.75
RSOR-STYRENE OXIDEA,B1PWZ0.74
SWFS-WARFARINA,B1OG50.71
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.79
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.73
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1R5L0.73
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1OIP0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.7
MAXMATAIRESINOLA2BGM0.71
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.74
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.81
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.75
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.75
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.72
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.85
B76A,B2E9D0.75
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.76
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.7
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.7
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,41EAH0.72
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,43EPF0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
258(2-chloroethoxy)benzeneX2RAY0.77
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.77
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.77
OHT4-HYDROXYTAMOXIFENA3ERT0.75
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.75
OHT4-HYDROXYTAMOXIFENA,B1VJB0.75
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.75
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.75
OHT4-HYDROXYTAMOXIFENA2GPU0.75
OHT4-HYDROXYTAMOXIFENA2P7Z0.75
OHT4-HYDROXYTAMOXIFENA,B2BJ40.75
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.75
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,D1Y0G0.75
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.7
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.75
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.72
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.72
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.72
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.8
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.74
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.77
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.77
2612-ethoxyphenolX2RB10.73
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.74
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.72
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.82
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.82
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.71
2682-phenoxyethanolA2RBR0.76
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.83
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
3AS(3aS,4R,9bR)-2,2-difluoro-4-(4-
hydroxyphenyl)-6-(methoxymethyl)-
1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-
8-ol
A,B2QTU0.73
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.73
2LP2-ALLYLPHENOLA1OV50.75
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Q700.74
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Z4B0.74
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.82
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.77
TRTFRAGMENT OF TRITON X-100A,E2I0U0.87
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.87
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.74
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.77
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.73
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.73
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.73
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.75
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.83
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.78
RWFR-WARFARINA,B2BXD0.71
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.7
COUCOUMARINA3CRB0.77
COUCOUMARINA2PMJ0.77
COUCOUMARINA2H900.77
COUCOUMARINA,B,C,D1Z100.77
COUCOUMARINA2PWB0.77
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.75
NOANAPHTHYLOXYACETIC ACIDI1IVP0.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.77
ETY4-ethylphenolA,B,C,D2RA60.73
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.73
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.75
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.71
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.74
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.82
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.72
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.79
VITVITAMIN EA,B1KPM0.73
VITVITAMIN EA,B3CXI0.73
VITVITAMIN EA,B3CYL0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE
A2GD80.7
CIOCILOMILASTA,B1XOM0.71
CIOCILOMILASTA,B1XLX0.71
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.74
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.71
OXNOXTOXYNOL-10A1IKT0.82
OXNOXTOXYNOL-10A,B2Q320.82
OXNOXTOXYNOL-10A,B1UEH0.82
OXNOXTOXYNOL-10A,B2D4Q0.82
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71