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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089579

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKH0.83
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKI0.83
2DG2-DEOXY-BETA-D-GALACTOSEA,B,C,D1JZ30.72
2DG2-DEOXY-BETA-D-GALACTOSEA,B,C,D1JZ40.72
2FG2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSEI,J,K,L,M,N,
O,P
1JZ10.7
2FG2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSEA,B,C,D,E,F,
G,H
1JZ00.7
2FG2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSEA,B,C,D1JZ20.7
46D(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-
CARBOXY-TETRAHYDRO-4,5,6-TRIHYDROXY-
2H-PYRAN-2-YLOXY)-HEXAHYDRO-6,7-
DIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID)
A1X1J0.75
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B,C,D1VAQ0.74
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKH0.74
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKI0.74
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1D830.74
2GS2-O-METHYL-ALPHA-D-GALACTOPYRANOSEA,B,C,D2DTW0.76
293(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-
2H-pyran-2,4,5-triol
A,B,C2RIE0.76
2FL2-FLUORO-2-DEOXY-LACTOSEI,J,K,L,M,N,
O,P
1JYZ0.73
2FL2-FLUORO-2-DEOXY-LACTOSEA,B,C,D,E,F,
G,H
1JYY0.73
3MG3-O-methyl-beta-D-glucopyranoseA2QW10.74
0BD3-methyl-1-(2-methylpropyl)butyl 4-
O-beta-L-gulopyranosyl-beta-D-glucopyranoside
A,B3FQQ0.71
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2FAF0.91
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B,C,D2FAH0.91
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2QZY0.91
3PI(1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDROXY{[(2R,3S,5R,6S)-
2,4,6-TRIHYDROXY-3,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTYRATE
A1ZVR0.71
289D-glycero-alpha-D-manno-heptopyranoseA,B,C2RIA0.76
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.91
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.71
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.71
46M(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-
TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID
A1X1I0.77
4PT(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-
DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE
A1W1G0.7
4PT(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-
DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE
A,B,C,D2Z0P0.7
ABEABEQUOSEH,L1MFE0.74
ABEABEQUOSEH1MFA0.74
ABEABEQUOSEA,B,C2J600.74
ABEABEQUOSEH1MFC0.74
ABEABEQUOSEH1MFD0.74
ABEABEQUOSEH1MFB0.74
ABEABEQUOSEA1TYX0.74
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.77
AD0DIGALACTURONIC ACIDA,B2UVF0.78