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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03032652

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID
A2AH20.7
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID
A2FHR0.7
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID
A2A750.7
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID
A,B2VK70.7
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.75
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID
A,B,C,D,E,F1HGJ0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A3EMY0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A2H6T0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1LS50.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1SME0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,C1W6I0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1XDH0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B2QZX0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A1IZE0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide
A,B1M430.71
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
A2QWJ0.76
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
A2QWG0.76
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.71
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.73
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.73
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.73
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.71
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE
A1FS40.7
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE
A1B4D0.7
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE
A,B1UR90.81
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE
A,B,C,D,E,F1O7A0.81
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE
A,B1UR80.81
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.7
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.71
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.75
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.75
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.75
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.77
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID
A2QWE0.71