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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03417018

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.84
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.84
CBFC-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4J0.72
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.75
CS2D-MANNONIC ACIDA,B,C,D2QJM0.74
CS2D-MANNONIC ACIDA,B3DBN0.74
BEMbeta-D-mannuronic acidA2ZAA0.84
BEMbeta-D-mannuronic acidA2ZAC0.84
BEMbeta-D-mannuronic acidA2ZAB0.84
BEMbeta-D-mannuronic acidA1Y3N0.84
BEMbeta-D-mannuronic acidA1Y3P0.84
BEMbeta-D-mannuronic acidA,B1J1N0.84
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE		A1CAP0.72
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE		A1J0N0.72
CDGMETHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-
BETA-D-GALACTOPYRANOSIDE		A,B,C,D,E1GYK0.71
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.76
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2NX30.76
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKH0.71
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKI0.71
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
AD0DIGALACTURONIC ACIDA,B2UVF0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.84
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.75
46M(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-
TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID		A1X1I0.72
CKP(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-
5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-
2-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2DCN0.76
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.77
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.72
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.72
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.72
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.82
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.82
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)		A1X1J0.76