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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008424

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.77
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN
B1EEL0.76
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.7
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.76
BZFBENZOFURANA182L0.88
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.71
MAXMATAIRESINOLA2BGM0.71
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.75
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.72
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.74
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.75
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
AC6P-HYDROXYACETOPHENONEA2GQ80.7
AC6P-HYDROXYACETOPHENONEX2O480.7
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.74
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.76
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.82
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.77
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.7
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.7
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.72
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.76
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
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.71
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.76
RWFR-WARFARINA,B2BXD0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.74
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.71
3MB3-METHOXYBENZAMIDEA3PAX0.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
COUCOUMARINA3CRB0.74
COUCOUMARINA2PMJ0.74
COUCOUMARINA2H900.74
COUCOUMARINA,B,C,D1Z100.74
COUCOUMARINA2PWB0.74
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
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.7
NARNARINGENINA,B2UXU0.72
NARNARINGENINA2BRT0.72
NARNARINGENINA1CGK0.72
NARNARINGENINA,B1EYQ0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.75
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.72
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.82
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.83
8MOMETHOXSALENA,B,C,D1Z110.7
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.75
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.75
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
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.77
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.83
D352,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURANA1FMS0.75
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
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
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
D342,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURANA1FMQ0.75
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.73
SWFS-WARFARINA,B1OG50.72
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.79
C624-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
A2UZO0.72
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID
H,I2A9N0.7
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.74
C954-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID
A,C2UZE0.71
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.8
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.8
AI73-(heptyloxy)benzoic acidA,B2O3Z0.77
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.73
FDSFLUORESCINH4FAB0.75
GENGENISTEINA1QKM0.72
GENGENISTEINA,B1X7J0.72
GENGENISTEINA,B2QA80.72
GENGENISTEINA1X7R0.72
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.72
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.73
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.72
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.78
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.72
T4AC,D1KGI0.73
T4AA,B1Z7J0.73
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.78
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.78
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.74
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.71