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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03147658

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CIOCILOMILASTA,B1XOM0.74
CIOCILOMILASTA,B1XLX0.74
ENM(5S,8R,9S,10S,13R,14S,17S)-13-{2-
[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-
17-HYDROXY-10-METHYLHEXADECAHYDRO-
3H-CYCLOPENTA[A]PHENANTHREN-3-ONE		A2PNU0.72
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL		A,B2P150.85
B76A,B2E9D0.74
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.7
OXNOXTOXYNOL-10A1IKT0.78
OXNOXTOXYNOL-10A,B2Q320.78
OXNOXTOXYNOL-10A,B1UEH0.78
OXNOXTOXYNOL-10A,B2D4Q0.78
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL		A,B1NNU0.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.73
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one		A2GIU0.72
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE		A2GD80.83
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID		A,B1JJE0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL		A1YSG0.75
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL		A1R5L0.74
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL		A1OIP0.74
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.76
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE		A,B,C,D2BW70.83
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol		A,B3DT30.78
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.75
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione		A,B2ZI80.74
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.78
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.79
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
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL		A,B2FOI0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid		A3FUG0.76
ANFANTHRONEH2BJM0.73
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL		A,B2G5O0.86
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.72
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL		A,B2QGT0.86
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2FAI0.78
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate		A3BET0.82
2MP3,4-DIMETHYLPHENOLA1L5O0.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.71
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.77
OHT4-HYDROXYTAMOXIFENA3ERT0.74
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.74
OHT4-HYDROXYTAMOXIFENA,B1VJB0.74
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.74
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.74
OHT4-HYDROXYTAMOXIFENA2GPU0.74
OHT4-HYDROXYTAMOXIFENA2P7Z0.74
OHT4-HYDROXYTAMOXIFENA,B2BJ40.74
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.74
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,B1JP30.78
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		A2W220.78
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2B1V0.75
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
AOEN-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-
3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-
DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-
7-YL]-N-METHYLUNDECANAMIDE		A1HJ10.72
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.8
EQIEQUILINA,B1EQU0.8
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE		A,B1YYE0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.79
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.79
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.78
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.86
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.72
ESOO3-PHOSPHONOESTRONEB,C1ESS0.78
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2I0G0.8
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B,C,D2I0J0.8
1NP1-NAPHTHOLX2ZVQ0.73
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.77
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid		A,B,C,D2Z770.81
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1T0.83
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.78
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2I0.79
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2J0.79
ESTESTRADIOLA,B1GWR0.88
ESTESTRADIOLA1FDS0.88
ESTESTRADIOLA,B,C1G500.88
ESTESTRADIOLA,B,C,D,E,F1ERE0.88
ESTESTRADIOLA,B1A520.88
ESTESTRADIOLA1FDT0.88
ESTESTRADIOLA2OCF0.88
ESTESTRADIOLA,B,C1QKU0.88
ESTESTRADIOLA,B,C,D,L1E6W0.88
ESTESTRADIOLA1IOL0.88
ESTESTRADIOLH1JNN0.88
ESTESTRADIOLB1QKT0.88
ESTESTRADIOLA1FDW0.88
ESTESTRADIOLA,B1AQU0.88
ESTESTRADIOLA1LHU0.88
ESTESTRADIOLA1A270.88
ESTESTRADIOLL1JGL0.88
ESTESTRADIOLA,B,E,F1PCG0.88
ESTESTRADIOLA,B,C,D1FDU0.88
ESTESTRADIOLA2J7X0.88
ESTESTRADIOLA,B2D060.88
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.77
EQUEQUILENINA,B1OGX0.8
EQUEQUILENINA,B,C,D,E,F1QJG0.8
EQUEQUILENINA,B1OH00.8
EQUEQUILENINA1W6Y0.8
EQUEQUILENINA,B1CQS0.8
EQUEQUILENINA1OGZ0.8
EQUEQUILENINA1GS30.8
EQUEQUILENINA1OHO0.8
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL		A2J7Y0.86
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.72
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.72
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2JJ30.79
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2QE40.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.78
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.74
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL		A,B2G440.77
ESLESTRIOLA1X8V0.86
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.75
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.7
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.71
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid		A,B3BEJ0.7
VITVITAMIN EA,B1KPM0.74
VITVITAMIN EA,B3CXI0.74
VITVITAMIN EA,B3CYL0.74
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B1ZKY0.77
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.76
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.73
NOANAPHTHYLOXYACETIC ACIDI1IVP0.73
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
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2Q700.78
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2Z4B0.78
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER		A1LHW0.89
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.7
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID		A,B1JJT0.71
MAXMATAIRESINOLA2BGM0.73
3A3A2CGU0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.81
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.8