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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005841

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.76
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.71
NOANAPHTHYLOXYACETIC ACIDI1IVP0.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.72
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.72
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.75
HBAP-HYDROXYBENZALDEHYDEA1K030.72
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.72
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.72
HBAP-HYDROXYBENZALDEHYDEA2GQ90.72
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.72
HBAP-HYDROXYBENZALDEHYDEA1OYB0.72
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.71
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.71
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.71
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
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
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.73
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.77
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.71
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.74
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.74
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.76
FOA2-FUROIC ACIDA,B2GF30.7
FOA2-FUROIC ACIDA,B,D2GAG0.7
FOA2-FUROIC ACIDA,B,C,D2GAH0.7
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.8
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.78
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.71
COUCOUMARINA3CRB0.71
COUCOUMARINA2PMJ0.71
COUCOUMARINA2H900.71
COUCOUMARINA,B,C,D1Z100.71
COUCOUMARINA2PWB0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.73
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.71
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.74
R17ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE
A,B,C1O6Q0.7
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.71
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.72
8MOMETHOXSALENA,B,C,D1Z110.77
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.72
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.72
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
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.73
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.79
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.75
FU2FURFURALA,B,C,D1QXD0.78
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.75
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.77
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
BZFBENZOFURANA182L0.92