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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02365328

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.77
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.72
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.73
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,D2OM90.74
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.7
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.7
ESTESTRADIOLA,B1GWR0.72
ESTESTRADIOLA1FDS0.72
ESTESTRADIOLA,B,C1G500.72
ESTESTRADIOLA,B,C,D,E,F1ERE0.72
ESTESTRADIOLA,B1A520.72
ESTESTRADIOLA1FDT0.72
ESTESTRADIOLA2OCF0.72
ESTESTRADIOLA,B,C1QKU0.72
ESTESTRADIOLA,B,C,D,L1E6W0.72
ESTESTRADIOLA1IOL0.72
ESTESTRADIOLH1JNN0.72
ESTESTRADIOLB1QKT0.72
ESTESTRADIOLA1FDW0.72
ESTESTRADIOLA,B1AQU0.72
ESTESTRADIOLA1LHU0.72
ESTESTRADIOLA1A270.72
ESTESTRADIOLL1JGL0.72
ESTESTRADIOLA,B,E,F1PCG0.72
ESTESTRADIOLA,B,C,D1FDU0.72
ESTESTRADIOLA2J7X0.72
ESTESTRADIOLA,B2D060.72
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.74
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.72
IKRmethyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoateA,C,D,E,N,P,
Q,R
3H1K0.72
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.73
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A,C,E,G1MZN0.73
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.71
T4AC,D1KGI0.71
T4AA,B1Z7J0.71
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.74
EQUEQUILENINA,B1OGX0.85
EQUEQUILENINA,B,C,D,E,F1QJG0.85
EQUEQUILENINA,B1OH00.85
EQUEQUILENINA1W6Y0.85
EQUEQUILENINA,B1CQS0.85
EQUEQUILENINA1OGZ0.85
EQUEQUILENINA1GS30.85
EQUEQUILENINA1OHO0.85
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.71
ESOO3-PHOSPHONOESTRONEB,C1ESS0.79
ESLESTRIOLA1X8V0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.7
RWFR-WARFARINA,B2BXD0.78
3A3A2CGU0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.71
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.72
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.72
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.72
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID
A,B1JJT0.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.72
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.7
EQIEQUILINA,B1EQU0.78
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.72
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.76
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.71
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.72
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.74
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.71
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.72
POD9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-
5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-
D][1,3]DIOXOL-6(5AH)-ONE
A,B,C,D1SA10.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.79
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.79
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.72
CIOCILOMILASTA,B1XOM0.78
CIOCILOMILASTA,B1XLX0.78
B76A,B2E9D0.7
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.76
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.74
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.74
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.8
SWFS-WARFARINA,B1OG50.78
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.73
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
1676-CARBAMIMIDOYL-2-[2-HYDROXY-5-
(3-METHOXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ60.73
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.8
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate
A3BET0.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.75
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.78
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE
A2GD80.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.74
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.71
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.76
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
A2PNU0.71
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.79
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.85
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
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.75
NOANAPHTHYLOXYACETIC ACIDI1IVP0.75
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.74
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.72
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.72
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.72
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.76
FDSFLUORESCINH4FAB0.74
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.72
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.7
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.79
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.73
MAXMATAIRESINOLA2BGM0.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER
H1UVU0.74
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE
C1K3T0.71
COUCOUMARINA3CRB0.7
COUCOUMARINA2PMJ0.7
COUCOUMARINA2H900.7
COUCOUMARINA,B,C,D1Z100.7
COUCOUMARINA2PWB0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.72