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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02904504

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.75
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.75
3CAA,B2B770.78
AI73-(heptyloxy)benzoic acidA,B2O3Z0.82
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.77
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.77
SAL2-HYDROXYBENZOIC ACIDA2I300.77
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.77
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.77
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.77
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.77
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.77
SAL2-HYDROXYBENZOIC ACIDA1WYG0.77
SAL2-HYDROXYBENZOIC ACIDA1JGS0.77
SAL2-HYDROXYBENZOIC ACIDX1M6E0.77
SAL2-HYDROXYBENZOIC ACIDA3B9M0.77
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.77
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.77
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.77
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.71
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.71
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE		A1UPJ0.7
VXXVANILLATEA,B1WB60.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.73
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.73
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.73
RDCRADICICOLA,B2Q8I0.78
RDCRADICICOLA,B1U0Z0.78
RDCRADICICOLA1BGQ0.78
RDCRADICICOLB,D,F,H2ZBK0.78
RDCRADICICOLA2HKJ0.78
RDCRADICICOLA,B,C3CGY0.78
RDCRADICICOLA,B2WER0.78
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.82
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.73
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.76
SYRSYRINGATEA,B1WB50.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.7
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.7
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.7
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.73
T4AC,D1KGI0.71
T4AA,B1Z7J0.71
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.76
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.76
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.76
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.71
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.74
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.73
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.73
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.71
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.7
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.75
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.71
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.77
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.72
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE		A2CGF0.77
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAV0.76
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAX0.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.75
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione		A,B3C9W0.73
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
3BZ3-chlorobenzoateX2QVZ0.75
3BZ3-chlorobenzoateX2QVX0.75
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.76
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.77
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.72
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.73
MOAMYCOPHENOLIC ACIDA1ME70.7
MOAMYCOPHENOLIC ACIDA,B1JR10.7
MOAMYCOPHENOLIC ACIDA1MEI0.7
MOAMYCOPHENOLIC ACIDA1MEH0.7
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.78
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.88
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.88
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.88
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.88
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.88
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.88
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWS0.77
COUCOUMARINA3CRB0.71
COUCOUMARINA2PMJ0.71
COUCOUMARINA2H900.71
COUCOUMARINA,B,C,D1Z100.71
COUCOUMARINA2PWB0.71
RWFR-WARFARINA,B2BXD0.72
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.72
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.78
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B3D2T0.71
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.76
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.74
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.74
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.85
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.77
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.72
FDSFLUORESCINH4FAB0.72
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.73
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE		A2IWX0.77
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID		A2Q940.73
BZFBENZOFURANA182L0.72
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE		A2E140.76
SWFS-WARFARINA,B1OG50.72
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.71
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.77
GENGENISTEINA1QKM0.73
GENGENISTEINA,B1X7J0.73
GENGENISTEINA,B2QA80.73
GENGENISTEINA1X7R0.73
ANN4-METHOXYBENZOIC ACIDA2B960.79
ANN4-METHOXYBENZOIC ACIDA2QUE0.79
ANN4-METHOXYBENZOIC ACIDA1SV30.79
ANN4-METHOXYBENZOIC ACIDA1O2E0.79
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.79
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.72
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
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.75
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.76
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid		A,B3B6C0.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
34Z3,4-dichlorobenzoateX2QVY0.72
34Z3,4-dichlorobenzoateX2QW00.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.72
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.81
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.81
EAAETHACRYNIC ACIDA,B3DGQ0.77
EAAETHACRYNIC ACIDA,B11GS0.77
EAAETHACRYNIC ACIDA,B,C,D1GSF0.77
EAAETHACRYNIC ACIDA,B2GSS0.77
EAAETHACRYNIC ACIDA,B3GSS0.77
EAAETHACRYNIC ACIDA,B1GSE0.77
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.72
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWU0.77
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.74
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.73
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.76
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.71
NARNARINGENINA,B2UXU0.75
NARNARINGENINA2BRT0.75
NARNARINGENINA1CGK0.75
NARNARINGENINA,B1EYQ0.75
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.72
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.72