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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03080253

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.7
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.73
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.73
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.73
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.73
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.73
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.73
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.73
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.9
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.83
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.83
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.82
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.82
MG8N-OCTANOYL-N-METHYLGLUCAMINEA,B1SMH0.72
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q610.72
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q8U0.72
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1SVE0.72
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.73
SIAO-SIALIC ACIDA,B1DBN0.83
SIAO-SIALIC ACIDA,B,C2DQY0.83
SIAO-SIALIC ACIDA,B3H720.83
SIAO-SIALIC ACIDA1N1Y0.83
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.83
SIAO-SIALIC ACIDA,B,C1YAH0.83
SIAO-SIALIC ACIDA1MWE0.83
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.83
SIAO-SIALIC ACIDA2JH70.83
SIAO-SIALIC ACIDA1F310.83
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.83
SIAO-SIALIC ACIDA1W0P0.83
SIAO-SIALIC ACIDA,B2EHI0.83
SIAO-SIALIC ACIDA2RDG0.83
SIAO-SIALIC ACIDA,B2WGC0.83
SIAO-SIALIC ACIDA,B,C1USX0.83
SIAO-SIALIC ACIDH1MCO0.83
SIAO-SIALIC ACIDA,B,C,D1W200.83
SIAO-SIALIC ACIDA,B,C,D1G1R0.83
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.83
SIAO-SIALIC ACIDA1FV20.83
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.83
SIAO-SIALIC ACIDA,B,C1QFO0.83
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.83
SIAO-SIALIC ACIDB1URL0.83
SIAO-SIALIC ACIDA,B2RFT0.83
SIAO-SIALIC ACIDB,C,I1PTO0.83
SIAO-SIALIC ACIDA2HRL0.83
SIAO-SIALIC ACIDA2R610.83
SIAO-SIALIC ACIDA2ZG30.83
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.83
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.83
SIAO-SIALIC ACIDA,B,C,D1W1X0.83
SIAO-SIALIC ACIDA,B,C,D1WW40.83
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.83
SIAO-SIALIC ACIDA2V730.83
SIAO-SIALIC ACIDA,B1JSH0.83
SIAO-SIALIC ACIDA,B,C,D1W210.83
SIAO-SIALIC ACIDA,B1JSN0.83
SIAO-SIALIC ACIDA,B,C,D1OW00.83
SIAO-SIALIC ACIDA2OSX0.83
SIAO-SIALIC ACIDA,B,C,D1G1S0.83
SIAO-SIALIC ACIDA2C4L0.83
SIAO-SIALIC ACIDA2Z8L0.83
SIAO-SIALIC ACIDA2JHD0.83
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.83
SIAO-SIALIC ACIDA1G1T0.83
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.83
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.83
SIAO-SIALIC ACID1,2,32KMB0.83
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.83
SIAO-SIALIC ACIDA,B1NSC0.83
SIAO-SIALIC ACIDA,B,C2W680.83
SIAO-SIALIC ACIDA1SE30.83
SIAO-SIALIC ACIDA,B,C1UXA0.83
SIAO-SIALIC ACIDA2QWB0.83
SIAO-SIALIC ACIDA2VU90.83
SIAO-SIALIC ACIDH,J,L1RVT0.83
SIAO-SIALIC ACIDA,B1FV30.83
SIAO-SIALIC ACIDA,B2C250.83
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.83
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.83
SIAO-SIALIC ACIDA,B2WBW0.83
SIAO-SIALIC ACIDA,B1USR0.83
SIAO-SIALIC ACIDA,B,E1KJ20.83
SIAO-SIALIC ACIDA,B,C2HRR0.83
SIAO-SIALIC ACIDA1QDD0.83
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.83
SIAO-SIALIC ACIDA,B,C,D1ZAG0.83
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.83
SIAO-SIALIC ACIDB1H7T0.83
SIAO-SIALIC ACIDA,B2DS00.83
SIAO-SIALIC ACIDA2ZG10.83
SIAO-SIALIC ACIDA,B,C2DR00.83
SIAO-SIALIC ACIDA,B,C1UXB0.83
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.83
SIAO-SIALIC ACIDA,B2RFU0.83
SIAO-SIALIC ACIDA1W0O0.83
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.83
SIAO-SIALIC ACIDA,B,C1YA40.83
SIAO-SIALIC ACIDA,B,D2CWG0.83
SIAO-SIALIC ACIDA,B,C2DQZ0.83
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.83
SIAO-SIALIC ACIDA,B,C1YA80.83
SIAO-SIALIC ACIDA2C4A0.83
SIAO-SIALIC ACIDF,G,H1CT10.83
SIAO-SIALIC ACIDA1YYN0.83
SIAO-SIALIC ACIDA,B1JSO0.83
SIAO-SIALIC ACIDA,B1WGC0.83
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.83
SIAO-SIALIC ACIDA2BF60.83
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.83
SIAO-SIALIC ACIDA2DF30.83
SIAO-SIALIC ACIDA2BAT0.83
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.83
SIAO-SIALIC ACIDA,B1JSI0.83
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.71
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.78
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.78
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.78
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.72
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.72
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.72
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.82
HG91-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOLA,B,C,D1SO20.71
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.78
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
HQ6N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-
7-(hydroxymethyl)azepan-4-yl]acetamide		A,B2W660.74
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
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A2BWM0.71
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A1O9V0.71
LP4(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-
5-((R)-3-HYDROXYTETRADECANAMIDO)-
3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.75
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.82
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.82
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.82
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.82
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.82
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.82
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.82
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.81
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.81
LP5(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-
2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-
6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.71
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.71
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.71
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1S0I0.75
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1Z4X0.75
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.9
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		A3EMY0.7
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		A2H6T0.7
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		A,B1LS50.7
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		A,B1SME0.7
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		A,C1W6I0.7
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		A,B1XDH0.7
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		A,B2QZX0.7
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		A1IZE0.7
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		A,B1M430.7
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F741
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.78
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.78
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.78
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.75
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.92
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.72
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.72
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.72
UDC(2S,3S)-2-((2S,3R,4S,5R)-5-ETHANAMIDO-
3-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-4-YLOXY)-3,4-DIHYDROXY-
2-METHYLBUTANOIC ACID		A,B,C,D2Z2C0.74
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.83
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.83
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.83
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.83