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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016742

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B,C,D1VAQ0.84
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKH0.84
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKI0.84
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1D830.84
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKH0.8
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKI0.8
2DG2-DEOXY-BETA-D-GALACTOSEA,B,C,D1JZ30.86
2DG2-DEOXY-BETA-D-GALACTOSEA,B,C,D1JZ40.86
2FL2-FLUORO-2-DEOXY-LACTOSEI,J,K,L,M,N,
O,P
1JYZ0.89
2FL2-FLUORO-2-DEOXY-LACTOSEA,B,C,D,E,F,
G,H
1JYY0.89
293(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-
2H-pyran-2,4,5-triol
A,B,C2RIE0.82
10Mdecyl 4-O-alpha-D-glucopyranosyl-
1-thio-beta-D-glucopyranoside
A3C5T0.72
10Mdecyl 4-O-alpha-D-glucopyranosyl-
1-thio-beta-D-glucopyranoside
A,B3C590.72
3MG3-O-methyl-beta-D-glucopyranoseA2QW10.84
3FM3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSIDEA1AO40.72
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2FAF0.77
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B,C,D2FAH0.77
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2QZY0.77
AAL3,6-ANHYDRO-L-GALACTOSEA,B,C,D2CDO0.86
AAL3,6-ANHYDRO-L-GALACTOSEA,B1AGA0.86
AAL3,6-ANHYDRO-L-GALACTOSEA,B,C,D2CDP0.86
AAL3,6-ANHYDRO-L-GALACTOSEA1URX0.86
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.74
A6P6-O-phosphono-alpha-D-allopyranoseA,B,C,D,E2VVO0.78
3CM3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-
GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
A,B2HZA0.75
2GS2-O-METHYL-ALPHA-D-GALACTOPYRANOSEA,B,C,D2DTW0.86
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.77
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1A9J0.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPC,D1MTL0.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPB,C2OYT0.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1G5E0.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPD1MWI0.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1A9I0.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1GJ00.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPB1SJL0.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA2SSP0.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1A9G0.71
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1A9H0.71
289D-glycero-alpha-D-manno-heptopyranoseA,B,C2RIA0.82
0BD3-methyl-1-(2-methylpropyl)butyl 4-
O-beta-L-gulopyranosyl-beta-D-glucopyranoside
A,B3FQQ0.78
46M(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-
TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID
A1X1I0.74
2FG2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSEI,J,K,L,M,N,
O,P
1JZ10.82
2FG2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSEA,B,C,D,E,F,
G,H
1JZ00.82
2FG2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSEA,B,C,D1JZ20.82