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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03540688

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.74
SWFS-WARFARINA,B1OG50.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.71
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
C954-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID
A,C2UZE0.73
FDSFLUORESCINH4FAB0.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.76
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.75
NARNARINGENINA,B2UXU0.71
NARNARINGENINA2BRT0.71
NARNARINGENINA1CGK0.71
NARNARINGENINA,B1EYQ0.71
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
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.73
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.73
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.79
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.74
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.74
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.74
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.71
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.7
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.73
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.78
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.7
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.71
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
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.73
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.74
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.73
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.83
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.76
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
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.74
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.76
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.76
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.75
D342,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURANA1FMQ0.73
D352,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURANA1FMS0.73
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.72
COUCOUMARINA3CRB0.75
COUCOUMARINA2PMJ0.75
COUCOUMARINA2H900.75
COUCOUMARINA,B,C,D1Z100.75
COUCOUMARINA2PWB0.75
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.74
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.77
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.78
C854-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
A,C2UZD0.7
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN
B1EEL0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.72
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.72
RWFR-WARFARINA,B2BXD0.71
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.7
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.79
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.73
C624-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
A2UZO0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.7
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.7
BZFBENZOFURANA182L0.89
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.74
ANN4-METHOXYBENZOIC ACIDA2B960.76
ANN4-METHOXYBENZOIC ACIDA2QUE0.76
ANN4-METHOXYBENZOIC ACIDA1SV30.76
ANN4-METHOXYBENZOIC ACIDA1O2E0.76
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.76
T4AC,D1KGI0.73
T4AA,B1Z7J0.73
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.79
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.74
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.76
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
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
3MB3-METHOXYBENZAMIDEA3PAX0.73
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.75
FU2FURFURALA,B,C,D1QXD0.72
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.7
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.71