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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02550904

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1Y0G0.7
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.76
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.79
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.78
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
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.78
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.7
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.79
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.73
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.73
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.72
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.77
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.72
PHQFORMIC ACID BENZYL ESTERA1KJO0.72
PHQFORMIC ACID BENZYL ESTERI2CDR0.72
PHQFORMIC ACID BENZYL ESTERI2C1E0.72
PHQFORMIC ACID BENZYL ESTERI5PAD0.72
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.72
PHQFORMIC ACID BENZYL ESTERA2CNO0.72
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.72
PHQFORMIC ACID BENZYL ESTERI2AZ90.72
PHQFORMIC ACID BENZYL ESTERI2C2K0.72
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.72
PHQFORMIC ACID BENZYL ESTERA1KJP0.72
PHQFORMIC ACID BENZYL ESTERI2C2M0.72
PHQFORMIC ACID BENZYL ESTERI2AZB0.72
PHQFORMIC ACID BENZYL ESTERA9HVP0.72
PHQFORMIC ACID BENZYL ESTERA1ESB0.72
PHQFORMIC ACID BENZYL ESTERE,F1DY80.72
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.72
PHQFORMIC ACID BENZYL ESTERI1GEC0.72
PHQFORMIC ACID BENZYL ESTERA1KS70.72
PHQFORMIC ACID BENZYL ESTERC1A8G0.72
PHQFORMIC ACID BENZYL ESTERA1KKK0.72
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.72
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.72
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.72
PHQFORMIC ACID BENZYL ESTERA1KTO0.72
PHQFORMIC ACID BENZYL ESTERA,C1TG10.72
PHQFORMIC ACID BENZYL ESTERI2AZ80.72
PHQFORMIC ACID BENZYL ESTERA,B2G580.72
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.72
PHQFORMIC ACID BENZYL ESTERI2CJY0.72
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.72
PHQFORMIC ACID BENZYL ESTERA1KR60.72
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.72
PHQFORMIC ACID BENZYL ESTERA1KRO0.72
PHQFORMIC ACID BENZYL ESTERI2CNN0.72
PHQFORMIC ACID BENZYL ESTERI2C2O0.72
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.72
PHQFORMIC ACID BENZYL ESTERA,B1THE0.72
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.72
PHQFORMIC ACID BENZYL ESTERE,I5EST0.72
PHQFORMIC ACID BENZYL ESTERI2CNK0.72
PHQFORMIC ACID BENZYL ESTERA1KL60.72
PHQFORMIC ACID BENZYL ESTERI6PAD0.72
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.72
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.75
B76A,B2E9D0.75
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.76
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.74
RSOR-STYRENE OXIDEA,B1PWZ0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
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
3AS(3aS,4R,9bR)-2,2-difluoro-4-(4-
hydroxyphenyl)-6-(methoxymethyl)-
1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-
8-ol
A,B2QTU0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,41EAH0.75
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,43EPF0.75
2612-ethoxyphenolX2RB10.74
COUCOUMARINA3CRB0.79
COUCOUMARINA2PMJ0.79
COUCOUMARINA2H900.79
COUCOUMARINA,B,C,D1Z100.79
COUCOUMARINA2PWB0.79
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.7
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.74
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.7
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.7
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.74
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.76
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.72
1NP1-NAPHTHOLX2ZVQ0.71
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.73
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.73
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.73
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.74
OXNOXTOXYNOL-10A1IKT0.76
OXNOXTOXYNOL-10A,B2Q320.76
OXNOXTOXYNOL-10A,B1UEH0.76
OXNOXTOXYNOL-10A,B2D4Q0.76
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
T4AC,D1KGI0.72
T4AA,B1Z7J0.72
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.7
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.71
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.71
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.77
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.7
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.75
ETY4-ethylphenolA,B,C,D2RA60.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.77
2682-phenoxyethanolA2RBR0.79
258(2-chloroethoxy)benzeneX2RAY0.8
2LP2-ALLYLPHENOLA1OV50.74
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Q700.73
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Z4B0.73
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.77
NOANAPHTHYLOXYACETIC ACIDI1IVP0.77
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.77
8CM8-HYDROXYCOUMARINA2H8Z0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.74
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.72
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.83
BZFBENZOFURANA182L0.75
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.79
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.76
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.75
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.71
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.8
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.8
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
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
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
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.73
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.88
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.79
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
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,B1JP30.76
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
A2W220.76