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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00745315

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
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		C,D,E1EZV0.75
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		A,C,D,E1P840.75
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		C,D,E2IBZ0.75
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL		A,C,D,E1KB90.75
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.75
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.87
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2FAI0.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.87
HMK(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-
C]CHROMENE-3,6A(12AH)-DIOL		A1ZGA0.74
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.84
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL		A1R5L0.75
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL		A1OIP0.75
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
P1S(6AR,12AR)-3-(HYDROXYMETHYL)-6H-
[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-
C]CHROMEN-6A(12AH)-OL		A1ZGJ0.74
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID		A,B1JJE0.73
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide		A2JT60.73
IKRmethyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoateA,C,D,E,N,P,
Q,R		3H1K0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid		A2ZCQ0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.72
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.7
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.7
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.79
NOANAPHTHYLOXYACETIC ACIDI1IVP0.79
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3R0.74
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.74
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol		A2OF00.74
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol		A,B3DT30.78
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.87
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3I0.74
2682-phenoxyethanolA2RBR0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.86
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.86
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FF50.73
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FET0.73
SXXSINAPINATEA,B1WB40.7
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.72
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE		A1HQD0.7
RWFR-WARFARINA,B2BXD0.7
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
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
3AS(3aS,4R,9bR)-2,2-difluoro-4-(4-
hydroxyphenyl)-6-(methoxymethyl)-
1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-
8-ol		A,B2QTU0.76
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.76
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.76
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.76
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,41EAH0.73
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,43EPF0.73
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID		A,B1JJT0.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.78
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA		A1ZP50.72
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.73
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.7
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.71
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL		A,B2G5O0.72
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2JJ30.78
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2QE40.78
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL		X1H460.75
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.78
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL		A,B1NNU0.75
2612-ethoxyphenolX2RB10.73
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.7
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME		A,B1XLZ0.73
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.7
COUCOUMARINA3CRB0.71
COUCOUMARINA2PMJ0.71
COUCOUMARINA2H900.71
COUCOUMARINA,B,C,D1Z100.71
COUCOUMARINA2PWB0.71
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,B1JP30.82
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
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.77
SWFS-WARFARINA,B1OG50.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2J0.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.82
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.77
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
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
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.76
MAXMATAIRESINOLA2BGM0.78
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.82
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.73
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.7
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.75
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.75
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.71
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.75
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.7
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol		A3FNG0.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
3A3A2CGU0.74
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER		A1LHW0.78
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.74
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.73
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.74
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.74
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.74
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1T0.76
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2B1V0.7
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.74
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.73
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.74
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL		A,B2FOI0.76
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE		A2GD80.77
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL		A,B2G440.72
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.75
DPDA,B1QIW0.72
DPDA1QIV0.72
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B1ZKY0.72
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate		A3BET0.74
B76A,B2E9D0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.73
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1V0.79
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.76
VITVITAMIN EA,B1KPM0.75
VITVITAMIN EA,B3CXI0.75
VITVITAMIN EA,B3CYL0.75
8CM8-HYDROXYCOUMARINA2H8Z0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
OXNOXTOXYNOL-10A1IKT0.82
OXNOXTOXYNOL-10A,B2Q320.82
OXNOXTOXYNOL-10A,B1UEH0.82
OXNOXTOXYNOL-10A,B2D4Q0.82
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.79
CIOCILOMILASTA,B1XOM0.76
CIOCILOMILASTA,B1XLX0.76