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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03032611

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.81
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.73
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.72
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.72
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.72
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.72
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.72
DYH(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-
2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-
2H-furo[3,2-b]pyran-2-carboxylic acid		A2ZNT0.7
DYH(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-
2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-
2H-furo[3,2-b]pyran-2-carboxylic acid		A,B,C,D3GBA0.7
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.75
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.7
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.7
LP5(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-
2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-
6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.73
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.87
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.87
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.87
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.87
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.76
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.76
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.76
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.71
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.7
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.7
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.73
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.73
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.91
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.78
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.81
MG8N-OCTANOYL-N-METHYLGLUCAMINEA,B1SMH0.71
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q610.71
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q8U0.71
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1SVE0.71
LP4(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-
5-((R)-3-HYDROXYTETRADECANAMIDO)-
3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.74
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.72
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.81
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.81
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.81
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.81
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.81
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.81
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.81
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.72