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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02168730

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE		A,B1X780.83
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE		A,B1X7E0.83
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.8
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.8
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.8
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.8
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.8
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE		A,B1ZAF0.71
RWFR-WARFARINA,B2BXD0.75
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.76
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.76
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1V0.73
R17ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE		A,B,C1O6Q0.71
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.76
8MOMETHOXSALENA,B,C,D1Z110.76
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.74
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.77
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE		A1UPJ0.72
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.71
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.72
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.73
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.74
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID		A,B1JJE0.74
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.8
T4AC,D1KGI0.76
T4AA,B1Z7J0.76
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
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID		A,B1JJT0.73
FDSFLUORESCINH4FAB0.79
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B2BXE0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B3D2T0.75
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.72
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid		A,B2ZK50.74
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.72
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.77
MOAMYCOPHENOLIC ACIDA1ME70.72
MOAMYCOPHENOLIC ACIDA,B1JR10.72
MOAMYCOPHENOLIC ACIDA1MEI0.72
MOAMYCOPHENOLIC ACIDA1MEH0.72
REF2,3,7,8-tetrahydroxychromeno[5,4,3-
cde]chromene-5,10-dione		A2ZJW0.7
DEOA,B1ROS0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.7
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.77
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.71
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.72
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.72
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID		A2Q940.76
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAV0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAX0.71
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.71
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.7
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID		A2EVC0.78
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.72
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.73
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.73
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
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE		A,B1X760.83
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.74
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID		A,B2E980.87
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID		A,B2E930.87
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.72
FHIA,B1Y1D0.72
NARNARINGENINA,B2UXU0.72
NARNARINGENINA2BRT0.72
NARNARINGENINA1CGK0.72
NARNARINGENINA,B1EYQ0.72
3CAA,B2B770.71
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
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.75
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.93
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.83
VXXVANILLATEA,B1WB60.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.72
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.72
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.75
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.73
4FCA1YSG0.7
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL		A,B1U9E0.86
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.72
8CM8-HYDROXYCOUMARINA2H8Z0.7
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.7
C954-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID		A,C2UZE0.71
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
SWFS-WARFARINA,B1OG50.75
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.73
GENGENISTEINA1QKM0.72
GENGENISTEINA,B1X7J0.72
GENGENISTEINA,B2QA80.72
GENGENISTEINA1X7R0.72
MAXMATAIRESINOLA2BGM0.74
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.7
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.73
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.73
NOANAPHTHYLOXYACETIC ACIDI1IVP0.73
ANN4-METHOXYBENZOIC ACIDA2B960.76
ANN4-METHOXYBENZOIC ACIDA2QUE0.76
ANN4-METHOXYBENZOIC ACIDA1SV30.76
ANN4-METHOXYBENZOIC ACIDA1O2E0.76
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.78
AI73-(heptyloxy)benzoic acidA,B2O3Z0.78
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.7
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.7
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.77
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.77
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
BZFBENZOFURANA182L0.84
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.72
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.75
CIOCILOMILASTA,B1XOM0.71
CIOCILOMILASTA,B1XLX0.71
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.78
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.78
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.78
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.78
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.78
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.77
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.74