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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02886894

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1T0.73
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.76
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.76
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.76
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.75
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.77
VXXVANILLATEA,B1WB60.7
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.7
SAL2-HYDROXYBENZOIC ACIDA2I300.7
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.7
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.7
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.7
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.7
SAL2-HYDROXYBENZOIC ACIDA1WYG0.7
SAL2-HYDROXYBENZOIC ACIDA1JGS0.7
SAL2-HYDROXYBENZOIC ACIDX1M6E0.7
SAL2-HYDROXYBENZOIC ACIDA3B9M0.7
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.7
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.7
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.7
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.8
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE		A1YI30.74
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE		A1E7V0.74
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.73
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.8
FHIA,B1Y1D0.71
HBAP-HYDROXYBENZALDEHYDEA1K030.72
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.72
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.72
HBAP-HYDROXYBENZALDEHYDEA2GQ90.72
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.72
HBAP-HYDROXYBENZALDEHYDEA1OYB0.72
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.73
MOAMYCOPHENOLIC ACIDA1ME70.75
MOAMYCOPHENOLIC ACIDA,B1JR10.75
MOAMYCOPHENOLIC ACIDA1MEI0.75
MOAMYCOPHENOLIC ACIDA1MEH0.75
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.72
OXNOXTOXYNOL-10A1IKT0.72
OXNOXTOXYNOL-10A,B2Q320.72
OXNOXTOXYNOL-10A,B1UEH0.72
OXNOXTOXYNOL-10A,B2D4Q0.72
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL		A,B1JP30.72
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL		A2W220.72
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.79
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.73
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.74
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.7
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.71
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
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
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.72
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B2BXE0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B3D2T0.73
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.72
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
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid		A,B3B6C0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.72
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.71
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.72
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		A2E140.75
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.78
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1V0.72
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
NARNARINGENINA,B2UXU0.72
NARNARINGENINA2BRT0.72
NARNARINGENINA1CGK0.72
NARNARINGENINA,B1EYQ0.72
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.7
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.72
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.77
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
GENGENISTEINA1QKM0.75
GENGENISTEINA,B1X7J0.75
GENGENISTEINA,B2QA80.75
GENGENISTEINA1X7R0.75
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.76
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.76
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.75
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1D830.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKH0.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKI0.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B,C,D1VAQ0.7
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE		B1O1S0.71
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.73
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.77
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.77
AI73-(heptyloxy)benzoic acidA,B2O3Z0.77
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.73
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.72
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.71
ANN4-METHOXYBENZOIC ACIDA2B960.76
ANN4-METHOXYBENZOIC ACIDA2QUE0.76
ANN4-METHOXYBENZOIC ACIDA1SV30.76
ANN4-METHOXYBENZOIC ACIDA1O2E0.76
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.76
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.77
3MB3-METHOXYBENZAMIDEA3PAX0.73
SIGSTIGMATELLINC,D,E2BCC0.7
SIGSTIGMATELLINC,D,E3BCC0.7
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.75
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.71
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,G1MZN0.71
BZFBENZOFURANA182L0.74