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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01530145

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.72
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.74
RWFR-WARFARINA,B2BXD0.75
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.7
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.7
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.74
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.76
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.77
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.77
MAXMATAIRESINOLA2BGM0.71
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
NARNARINGENINA,B2UXU0.71
NARNARINGENINA2BRT0.71
NARNARINGENINA1CGK0.71
NARNARINGENINA,B1EYQ0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
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
R224-(3,5-DIMETHYLPHENOXY)-5-(FURAN-
2-YLMETHYLSULFANYLMETHYL)-3-IODO-
6-METHYLPYRIDIN-2(1H)-ONE
A,B2BE20.7
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.72
FU2FURFURALA,B,C,D1QXD0.71
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.75
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.71
BZFBENZOFURANA182L0.83
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.73
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.72
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.72
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.7
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.75
3MB3-METHOXYBENZAMIDEA3PAX0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.77
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
T4AC,D1KGI0.72
T4AA,B1Z7J0.72
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.8
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.73
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.73
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.83
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.71
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.74
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.75
FDSFLUORESCINH4FAB0.72
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.75
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.73
D342,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURANA1FMQ0.73
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.74
D352,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURANA1FMS0.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.72
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.74
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.79
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.75
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.7
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.73
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.73
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.74
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN
B1EEL0.73
COUCOUMARINA3CRB0.72
COUCOUMARINA2PMJ0.72
COUCOUMARINA2H900.72
COUCOUMARINA,B,C,D1Z100.72
COUCOUMARINA2PWB0.72
SWFS-WARFARINA,B1OG50.75
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.79
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.71
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.77
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.73
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.73
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.71
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.74
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.71
GENGENISTEINA1QKM0.7
GENGENISTEINA,B1X7J0.7
GENGENISTEINA,B2QA80.7
GENGENISTEINA1X7R0.7
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.71
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,G1MZN0.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.71