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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03082692

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.74
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.72
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.73
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1T0.75
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.81
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2I0.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL		A,B1L2J0.7
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FF50.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL		A2FET0.74
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.85
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL		A,B2G5O0.75
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.71
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.74
FDSFLUORESCINH4FAB0.76
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		A,B1JP30.73
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		A2W220.73
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.73
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2Q700.8
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2Z4B0.8
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER		A1LHW0.76
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B1ZKY0.79
TRTFRAGMENT OF TRITON X-100A,E2I0U0.74
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.74
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.75
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.71
OXNOXTOXYNOL-10A1IKT0.73
OXNOXTOXYNOL-10A,B2Q320.73
OXNOXTOXYNOL-10A,B1UEH0.73
OXNOXTOXYNOL-10A,B2D4Q0.73
3AS(3aS,4R,9bR)-2,2-difluoro-4-(4-
hydroxyphenyl)-6-(methoxymethyl)-
1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-
8-ol		A,B2QTU0.81
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.7
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.78
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL		A,B2P150.7
ESTESTRADIOLA,B1GWR0.74
ESTESTRADIOLA1FDS0.74
ESTESTRADIOLA,B,C1G500.74
ESTESTRADIOLA,B,C,D,E,F1ERE0.74
ESTESTRADIOLA,B1A520.74
ESTESTRADIOLA1FDT0.74
ESTESTRADIOLA2OCF0.74
ESTESTRADIOLA,B,C1QKU0.74
ESTESTRADIOLA,B,C,D,L1E6W0.74
ESTESTRADIOLA1IOL0.74
ESTESTRADIOLH1JNN0.74
ESTESTRADIOLB1QKT0.74
ESTESTRADIOLA1FDW0.74
ESTESTRADIOLA,B1AQU0.74
ESTESTRADIOLA1LHU0.74
ESTESTRADIOLA1A270.74
ESTESTRADIOLL1JGL0.74
ESTESTRADIOLA,B,E,F1PCG0.74
ESTESTRADIOLA,B,C,D1FDU0.74
ESTESTRADIOLA2J7X0.74
ESTESTRADIOLA,B2D060.74
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL		A1R5L0.78
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL		A1OIP0.78
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL		A,B2QGT0.77
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,E1EZV0.72
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,E1P840.72
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,E2IBZ0.72
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,E1KB90.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.71
B76A,B2E9D0.7
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.71
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.71
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.7
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.7
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.7
SMASTIGMATELLIN AC,H,L,M2JBL0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.7
SMASTIGMATELLIN AA,C,D,E1KB90.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.7
SMASTIGMATELLIN AC,D,E2IBZ0.7
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.7
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.7
SMASTIGMATELLIN AC,D,E1EZV0.7
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.7
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.7
SMASTIGMATELLIN AC,D,E1SQX0.7
OHT4-HYDROXYTAMOXIFENA3ERT0.71
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.71
OHT4-HYDROXYTAMOXIFENA,B1VJB0.71
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.71
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.71
OHT4-HYDROXYTAMOXIFENA2GPU0.71
OHT4-HYDROXYTAMOXIFENA2P7Z0.71
OHT4-HYDROXYTAMOXIFENA,B2BJ40.71
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.71
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2JJ30.83
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2QE40.83
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B2I0G0.82
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL		A,B,C,D2I0J0.82
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2FAI0.8
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.72
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,D2OM90.82
ESLESTRIOLA1X8V0.73
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL		A2J7Y0.73
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.7
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.7
VITVITAMIN EA,B1KPM0.78
VITVITAMIN EA,B3CXI0.78
VITVITAMIN EA,B3CYL0.78
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.72
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.72
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.75
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
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.71
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.73
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.73
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.71
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.7
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.74
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.73
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIN0.77
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.76
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol		A,B3DT30.8
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
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.78
P1S(6AR,12AR)-3-(HYDROXYMETHYL)-6H-
[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-
C]CHROMEN-6A(12AH)-OL		A1ZGJ0.76
NARNARINGENINA,B2UXU0.73
NARNARINGENINA2BRT0.73
NARNARINGENINA1CGK0.73
NARNARINGENINA,B1EYQ0.73
HMK(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-
C]CHROMENE-3,6A(12AH)-DIOL		A1ZGA0.76
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,D1SA10.7
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2B1V0.77
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE		A,B,C,D2BW70.72
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.72
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.72
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL		A,B2G440.78
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.7
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.7