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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03219268

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.77
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.76
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.74
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.72
RWFR-WARFARINA,B2BXD0.75
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,B3C9W0.72
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
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.74
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.78
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.78
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.78
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.73
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.74
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.73
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.71
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.75
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.77
1592-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-
BENZOIC ACID
A,B1NME0.71
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.72
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.74
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.73
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.73
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
A2E140.74
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.7
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.75
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.75
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.7
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.72
MOAMYCOPHENOLIC ACIDA1ME70.7
MOAMYCOPHENOLIC ACIDA,B1JR10.7
MOAMYCOPHENOLIC ACIDA1MEI0.7
MOAMYCOPHENOLIC ACIDA1MEH0.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.81
VXXVANILLATEA,B1WB60.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.74
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.76
3MB3-METHOXYBENZAMIDEA3PAX0.72
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.73
T4AC,D1KGI0.72
T4AA,B1Z7J0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.73
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
SYRSYRINGATEA,B1WB50.72
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.77
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.7
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.74
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
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.71
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.74
FDSFLUORESCINH4FAB0.72
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.73
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
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.78
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
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.76
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.75
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.72
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.79
BZFBENZOFURANA182L0.75
SWFS-WARFARINA,B1OG50.75
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE
D,F2NNL0.7
8MOMETHOXSALENA,B,C,D1Z110.73
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.91
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.91
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.91
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.91
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.91
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.91
NARNARINGENINA,B2UXU0.74
NARNARINGENINA2BRT0.74
NARNARINGENINA1CGK0.74
NARNARINGENINA,B1EYQ0.74
FSE3,7,3',4'-TETRAHYDROXYFLAVONEB1XO20.7
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.75
6944-BROMO-3-(CARBOXYMETHOXY)-5-(4-
HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
A2H4G0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.81
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.7
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A,B,C,D1H1M0.73
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2C1Z0.73
5094-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-
2-CARBOXYLIC ACID
A2H4K0.71
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.72
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.72
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.72
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.72
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.72
MYF5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
4H-CHROMEN-4-ONE
A2O650.7
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.76
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE
A1ZG30.72
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.73
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.75
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.7
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.74
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.7
COUCOUMARINA3CRB0.78
COUCOUMARINA2PMJ0.78
COUCOUMARINA2H900.78
COUCOUMARINA,B,C,D1Z100.78
COUCOUMARINA2PWB0.78
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.72