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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01778913

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.81
RWFR-WARFARINA,B2BXD0.75
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER		A4UPJ0.72
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.73
4422-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-
PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-
1,1-DIOL		A1R6G0.71
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1V0.73
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.71
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.75
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.74
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.71
TOLTOLRESTATA2PDL0.74
TOLTOLRESTATA2FZD0.74
TOLTOLRESTATA2FZB0.74
TOLTOLRESTATA1AH30.74
TOLTOLRESTATX1ZUA0.74
TOLTOLRESTATA1AE40.74
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.74
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL		A2OUZ0.71
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol		A,B3EKR0.7
AAY8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-
6-METHOXY-2-NAPHTHYL]METHYL}-6-
OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-
1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL 2-METHYLBUTANOATE		A,B1XDD0.72
NARNARINGENINA,B2UXU0.71
NARNARINGENINA2BRT0.71
NARNARINGENINA1CGK0.71
NARNARINGENINA,B1EYQ0.71
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.75
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.71
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.77
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine		A,B,C,D2ZEC0.72
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
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,D2OM90.72
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE		A1TTM0.72
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.71
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.76
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.77
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one		A2ZVJ0.79
GENGENISTEINA1QKM0.71
GENGENISTEINA,B1X7J0.71
GENGENISTEINA,B2QA80.71
GENGENISTEINA1X7R0.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.73
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.73
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.73
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.7
C187-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-
2H-CHROMEN-2-ONE		A,B2V610.81
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide		A2ZJI0.71
REN(S)-reticulineA3FWA0.73
REN(S)-reticulineA3D2D0.73
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1T0.72
G123,8-DIBROMO-7-HYDROXY-4-METHYL-
2H-CHROMEN-2-ONE		A2QC60.73
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.75
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.75
NOVNOVOBIOCINA,B1KIJ0.72
NOVNOVOBIOCINA,B1S140.72
NOVNOVOBIOCINA1AJ60.72
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol		A3FW90.73
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.72
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIN0.73
FLGFLUORESCEINYLTHIOUREIDOA,B1OCB0.72
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.72
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.79
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE		A1UPJ0.71
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.73
C01(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-
3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-
1,2-BENZISOXAZOL-6-YL)OXY]ACETATE		A1ZEO0.7
965(3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-
DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID		A,B,D1PQ60.72
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.75
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.78
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.75
GNT(-)-GALANTHAMINEA1DX60.71
GNT(-)-GALANTHAMINEA1QTI0.71
GNT(-)-GALANTHAMINEA,B,C,D,E2PH90.71
GNT(-)-GALANTHAMINEA,B1W760.71
GNT(-)-GALANTHAMINEA1W6R0.71
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.71
SWFS-WARFARINA,B1OG50.75
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.71
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.71
FDSFLUORESCINH4FAB0.73
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.71
DEOA,B1ROS0.71
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE		A1SIH0.71
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.71
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.72
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.74
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.72
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.71
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.73
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.72
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.74
S44(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid		A2ZNN0.72
S44(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid		A,B2ZNO0.72
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.73
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2JJ30.71
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL		A,B2QE40.71
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.73
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.74
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.72
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.82