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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03514955

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.81
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.77
ZCTA,B,C,D,E,F,
G,H
3B6A0.73
ANFANTHRONEH2BJM0.78
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A,B,C,D2F980.77
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE
A1SJW0.77
2MP3,4-DIMETHYLPHENOLA1L5O0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.72
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.75
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
FDSFLUORESCINH4FAB0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE
A,B1N5Q0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.78
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.75
ESTESTRADIOLA,B1GWR0.77
ESTESTRADIOLA1FDS0.77
ESTESTRADIOLA,B,C1G500.77
ESTESTRADIOLA,B,C,D,E,F1ERE0.77
ESTESTRADIOLA,B1A520.77
ESTESTRADIOLA1FDT0.77
ESTESTRADIOLA2OCF0.77
ESTESTRADIOLA,B,C1QKU0.77
ESTESTRADIOLA,B,C,D,L1E6W0.77
ESTESTRADIOLA1IOL0.77
ESTESTRADIOLH1JNN0.77
ESTESTRADIOLB1QKT0.77
ESTESTRADIOLA1FDW0.77
ESTESTRADIOLA,B1AQU0.77
ESTESTRADIOLA1LHU0.77
ESTESTRADIOLA1A270.77
ESTESTRADIOLL1JGL0.77
ESTESTRADIOLA,B,E,F1PCG0.77
ESTESTRADIOLA,B,C,D1FDU0.77
ESTESTRADIOLA2J7X0.77
ESTESTRADIOLA,B2D060.77
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.82
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.79
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.72
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.72
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.78
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
FHIA,B1Y1D0.71
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.83
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.79
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.79
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.78
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1D830.76
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1EKH0.76
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B1EKI0.76
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE
A,B,C,D1VAQ0.76
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.74
AC6P-HYDROXYACETOPHENONEX2O480.74
EQUEQUILENINA,B1OGX0.89
EQUEQUILENINA,B,C,D,E,F1QJG0.89
EQUEQUILENINA,B1OH00.89
EQUEQUILENINA1W6Y0.89
EQUEQUILENINA,B1CQS0.89
EQUEQUILENINA1OGZ0.89
EQUEQUILENINA1GS30.89
EQUEQUILENINA1OHO0.89
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.85
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.85
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.78
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.78
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.78
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.78
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE
A,B1BP80.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.77
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
A,B,C,D2F990.74
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.76
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.74
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.74
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.77
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.71
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.7
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.72
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
A,B1CP80.74
RWFR-WARFARINA,B2BXD0.72
OX1H,Y1LO20.71
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE
A,B146D0.74
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE
A,B207D0.74
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.79
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.75
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.71
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
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.76
ESLESTRIOLA1X8V0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.78
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.8
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.73
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.77
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.73
ESOO3-PHOSPHONOESTRONEB,C1ESS0.78
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.71
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.73
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE
A1N5V0.7
SWFS-WARFARINA,B1OG50.72
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.76
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.73
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.72
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
EQIEQUILINA,B1EQU0.88
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.78
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.77
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.8
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.7
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.73
AJA(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-
1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-
TETRAHYDRO-6H-BENZO[C]CHROMENE-
9-CARBOXYLIC ACID
A,B,C,D2OM90.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.77
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.77
1NP1-NAPHTHOLX2ZVQ0.78
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77
FLVFLAVIOLINA1ZDW0.73
FLVFLAVIOLINA1T930.73
FLVFLAVIOLINA2D090.73