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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00848372

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.76
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.84
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.71
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.71
5094-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-
2-CARBOXYLIC ACID
A2H4K0.74
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.73
6944-BROMO-3-(CARBOXYMETHOXY)-5-(4-
HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
A2H4G0.74
SYRSYRINGATEA,B1WB50.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.74
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.8
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.71
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.73
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
VXXVANILLATEA,B1WB60.74
ANN4-METHOXYBENZOIC ACIDA2B960.77
ANN4-METHOXYBENZOIC ACIDA2QUE0.77
ANN4-METHOXYBENZOIC ACIDA1SV30.77
ANN4-METHOXYBENZOIC ACIDA1O2E0.77
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.77
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.83
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.73
C954-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID
A,C2UZE0.72
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.83
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.74
GW6(6alpha,11alpha,14beta,16alpha,17alpha)-
6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-
11-hydroxy-16-methyl-3-oxoandrosta-
1,4-dien-17-yl furan-2-carboxylate
A,B3CLD0.74
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.79
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.81
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.7
FOA2-FUROIC ACIDA,B2GF30.76
FOA2-FUROIC ACIDA,B,D2GAG0.76
FOA2-FUROIC ACIDA,B,C,D2GAH0.76