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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02258078

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LZP4,4'-piperazine-1,4-diylbis{1-[3-
(benzyloxy)phenyl]-4-oxobutane-
1,3-dione}
A3EAX0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.74
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.72
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.74
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.72
RWFR-WARFARINA,B2BXD0.75
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.77
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.77
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.77
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.7
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.74
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.77
R02{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-
BROMOPHENYL)METHANONE
A,B,C1H370.7
3MB3-METHOXYBENZAMIDEA3PAX0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.7
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.71
AI73-(heptyloxy)benzoic acidA,B2O3Z0.79
DEOA,B1ROS0.7
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1YI30.7
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1E7V0.7
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.77
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.72
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.71
D352,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURANA1FMS0.71
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.71
BZFBENZOFURANA182L0.83
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.72
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
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.72
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.7
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,G1MZN0.7
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2BT40.71
CIOCILOMILASTA,B1XOM0.7
CIOCILOMILASTA,B1XLX0.7
D342,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURANA1FMQ0.71
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.71
NARNARINGENINA,B2UXU0.72
NARNARINGENINA2BRT0.72
NARNARINGENINA1CGK0.72
NARNARINGENINA,B1EYQ0.72
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.72
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.7
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.75
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.75
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
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.77
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN
B1EEL0.72
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.75
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.8
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.75
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.75
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.74
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.7
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.82
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.78
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.72
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.78
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
SWFS-WARFARINA,B1OG50.75
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.71
FDSFLUORESCINH4FAB0.73
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.72
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.73
FU2FURFURALA,B,C,D1QXD0.7
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.72
GENGENISTEINA1QKM0.72
GENGENISTEINA,B1X7J0.72
GENGENISTEINA,B2QA80.72
GENGENISTEINA1X7R0.72
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.72
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.72
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.7
MAXMATAIRESINOLA2BGM0.74
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.73
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.72
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.72
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID
A,B1JJT0.71
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.7
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.71
COUCOUMARINA3CRB0.7
COUCOUMARINA2PMJ0.7
COUCOUMARINA2H900.7
COUCOUMARINA,B,C,D1Z100.7
COUCOUMARINA2PWB0.7