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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03854711

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D2Z2C0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.73
GL78,9,10-TRIHYDROXY-7-HYDROXYMETHYL-
3-METHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-
2,4-DIONE		A1FTY0.85
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.71
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.7
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.73
CBFC-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4J0.75
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.74
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.75
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.75
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.75
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.75
2G0(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-
3,4,5-trihydroxy-6-methyltetrahydro-
2H-pyran-2-yl]acetyl}amino)hexanoyl]-
N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-
2-carboxamide		A,B,C,D3DCQ0.71
GL53,8,9,10-TETRAHYDROXY-7-HYDROXYMETHYL-
6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-
2,4-DIONE		A1FTW0.84
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.73
GL23-AMINO-8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-
6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-
2,4-DIONE		A1FTQ0.82
GLSBETA-D-GLUCOPYRANOSE SPIROHYDANTOINA1GGN0.88
GLSBETA-D-GLUCOPYRANOSE SPIROHYDANTOINA1A8I0.88
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.73
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.7
DL62-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-
TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-
2H-PYRAN-2-YL)ACETAMIDE		A2FFR0.71
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
SIAO-SIALIC ACIDA,B1DBN0.75
SIAO-SIALIC ACIDA,B,C2DQY0.75
SIAO-SIALIC ACIDA,B3H720.75
SIAO-SIALIC ACIDA1N1Y0.75
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.75
SIAO-SIALIC ACIDA,B,C1YAH0.75
SIAO-SIALIC ACIDA1MWE0.75
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.75
SIAO-SIALIC ACIDA2JH70.75
SIAO-SIALIC ACIDA1F310.75
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.75
SIAO-SIALIC ACIDA1W0P0.75
SIAO-SIALIC ACIDA,B2EHI0.75
SIAO-SIALIC ACIDA2RDG0.75
SIAO-SIALIC ACIDA,B2WGC0.75
SIAO-SIALIC ACIDA,B,C1USX0.75
SIAO-SIALIC ACIDH1MCO0.75
SIAO-SIALIC ACIDA,B,C,D1W200.75
SIAO-SIALIC ACIDA,B,C,D1G1R0.75
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.75
SIAO-SIALIC ACIDA1FV20.75
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.75
SIAO-SIALIC ACIDA,B,C1QFO0.75
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.75
SIAO-SIALIC ACIDB1URL0.75
SIAO-SIALIC ACIDA,B2RFT0.75
SIAO-SIALIC ACIDB,C,I1PTO0.75
SIAO-SIALIC ACIDA2HRL0.75
SIAO-SIALIC ACIDA2R610.75
SIAO-SIALIC ACIDA2ZG30.75
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.75
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.75
SIAO-SIALIC ACIDA,B,C,D1W1X0.75
SIAO-SIALIC ACIDA,B,C,D1WW40.75
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.75
SIAO-SIALIC ACIDA2V730.75
SIAO-SIALIC ACIDA,B1JSH0.75
SIAO-SIALIC ACIDA,B,C,D1W210.75
SIAO-SIALIC ACIDA,B1JSN0.75
SIAO-SIALIC ACIDA,B,C,D1OW00.75
SIAO-SIALIC ACIDA2OSX0.75
SIAO-SIALIC ACIDA,B,C,D1G1S0.75
SIAO-SIALIC ACIDA2C4L0.75
SIAO-SIALIC ACIDA2Z8L0.75
SIAO-SIALIC ACIDA2JHD0.75
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.75
SIAO-SIALIC ACIDA1G1T0.75
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.75
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.75
SIAO-SIALIC ACID1,2,32KMB0.75
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.75
SIAO-SIALIC ACIDA,B1NSC0.75
SIAO-SIALIC ACIDA,B,C2W680.75
SIAO-SIALIC ACIDA1SE30.75
SIAO-SIALIC ACIDA,B,C1UXA0.75
SIAO-SIALIC ACIDA2QWB0.75
SIAO-SIALIC ACIDA2VU90.75
SIAO-SIALIC ACIDH,J,L1RVT0.75
SIAO-SIALIC ACIDA,B1FV30.75
SIAO-SIALIC ACIDA,B2C250.75
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.75
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.75
SIAO-SIALIC ACIDA,B2WBW0.75
SIAO-SIALIC ACIDA,B1USR0.75
SIAO-SIALIC ACIDA,B,E1KJ20.75
SIAO-SIALIC ACIDA,B,C2HRR0.75
SIAO-SIALIC ACIDA1QDD0.75
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.75
SIAO-SIALIC ACIDA,B,C,D1ZAG0.75
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.75
SIAO-SIALIC ACIDB1H7T0.75
SIAO-SIALIC ACIDA,B2DS00.75
SIAO-SIALIC ACIDA2ZG10.75
SIAO-SIALIC ACIDA,B,C2DR00.75
SIAO-SIALIC ACIDA,B,C1UXB0.75
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.75
SIAO-SIALIC ACIDA,B2RFU0.75
SIAO-SIALIC ACIDA1W0O0.75
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.75
SIAO-SIALIC ACIDA,B,C1YA40.75
SIAO-SIALIC ACIDA,B,D2CWG0.75
SIAO-SIALIC ACIDA,B,C2DQZ0.75
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.75
SIAO-SIALIC ACIDA,B,C1YA80.75
SIAO-SIALIC ACIDA2C4A0.75
SIAO-SIALIC ACIDF,G,H1CT10.75
SIAO-SIALIC ACIDA1YYN0.75
SIAO-SIALIC ACIDA,B1JSO0.75
SIAO-SIALIC ACIDA,B1WGC0.75
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.75
SIAO-SIALIC ACIDA2BF60.75
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.75
SIAO-SIALIC ACIDA2DF30.75
SIAO-SIALIC ACIDA2BAT0.75
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.75
SIAO-SIALIC ACIDA,B1JSI0.75
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.74
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.74
BCMBICYCLOMYCINA,B,C,D,E,F1XPO0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.75
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.75
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.71
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.71
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.71
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H1
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU81
H5PHYDANTOCIDIN-5'-PHOSPHATEA1JUY0.75
H5PHYDANTOCIDIN-5'-PHOSPHATEA1SOO0.75
8GPA2F3U0.72
GL9N-(8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-
2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DEC-
3-YL-ACETAMIDE		A1FU40.81
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.78
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.72
GL48,9,10-TRIHYDROXY-7-HYDROXYMETHYL-
2-THIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DECAN-
4-ONE		A1HLF0.84
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.73
GLGALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDEA1GG80.78
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.96
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.96
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.72
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.72
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.72
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.72
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		A2ZNT0.71
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,D3GBA0.71