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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03921647

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GM3N-{1-[(HEXOPYRANOSYLOXY)METHYL]-
2-HYDROXYNONADECYL}TETRACOSANAMIDE		A2BV70.71
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		A2ZNT0.74
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,D3GBA0.74
LP5(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-
2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-
6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.77
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.82
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.72
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,D2Z2C0.79
MLDGLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-
L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA		A,X2F2L0.71
MLDGLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-
L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA		A,B,C,D2CB30.71
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.75
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.75
GTH3-O-GLUCOPYRANOSYL-THREONINE-[2-
DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]		A1WCT0.72
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)		A1INW0.72
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)		A1DIL0.72
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.88
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.75
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.83
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.76
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.9
SIAO-SIALIC ACIDA,B1DBN0.88
SIAO-SIALIC ACIDA,B,C2DQY0.88
SIAO-SIALIC ACIDA,B3H720.88
SIAO-SIALIC ACIDA1N1Y0.88
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.88
SIAO-SIALIC ACIDA,B,C1YAH0.88
SIAO-SIALIC ACIDA1MWE0.88
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.88
SIAO-SIALIC ACIDA2JH70.88
SIAO-SIALIC ACIDA1F310.88
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.88
SIAO-SIALIC ACIDA1W0P0.88
SIAO-SIALIC ACIDA,B2EHI0.88
SIAO-SIALIC ACIDA2RDG0.88
SIAO-SIALIC ACIDA,B2WGC0.88
SIAO-SIALIC ACIDA,B,C1USX0.88
SIAO-SIALIC ACIDH1MCO0.88
SIAO-SIALIC ACIDA,B,C,D1W200.88
SIAO-SIALIC ACIDA,B,C,D1G1R0.88
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.88
SIAO-SIALIC ACIDA1FV20.88
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.88
SIAO-SIALIC ACIDA,B,C1QFO0.88
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.88
SIAO-SIALIC ACIDB1URL0.88
SIAO-SIALIC ACIDA,B2RFT0.88
SIAO-SIALIC ACIDB,C,I1PTO0.88
SIAO-SIALIC ACIDA2HRL0.88
SIAO-SIALIC ACIDA2R610.88
SIAO-SIALIC ACIDA2ZG30.88
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.88
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.88
SIAO-SIALIC ACIDA,B,C,D1W1X0.88
SIAO-SIALIC ACIDA,B,C,D1WW40.88
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.88
SIAO-SIALIC ACIDA2V730.88
SIAO-SIALIC ACIDA,B1JSH0.88
SIAO-SIALIC ACIDA,B,C,D1W210.88
SIAO-SIALIC ACIDA,B1JSN0.88
SIAO-SIALIC ACIDA,B,C,D1OW00.88
SIAO-SIALIC ACIDA2OSX0.88
SIAO-SIALIC ACIDA,B,C,D1G1S0.88
SIAO-SIALIC ACIDA2C4L0.88
SIAO-SIALIC ACIDA2Z8L0.88
SIAO-SIALIC ACIDA2JHD0.88
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.88
SIAO-SIALIC ACIDA1G1T0.88
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.88
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.88
SIAO-SIALIC ACID1,2,32KMB0.88
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.88
SIAO-SIALIC ACIDA,B1NSC0.88
SIAO-SIALIC ACIDA,B,C2W680.88
SIAO-SIALIC ACIDA1SE30.88
SIAO-SIALIC ACIDA,B,C1UXA0.88
SIAO-SIALIC ACIDA2QWB0.88
SIAO-SIALIC ACIDA2VU90.88
SIAO-SIALIC ACIDH,J,L1RVT0.88
SIAO-SIALIC ACIDA,B1FV30.88
SIAO-SIALIC ACIDA,B2C250.88
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.88
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.88
SIAO-SIALIC ACIDA,B2WBW0.88
SIAO-SIALIC ACIDA,B1USR0.88
SIAO-SIALIC ACIDA,B,E1KJ20.88
SIAO-SIALIC ACIDA,B,C2HRR0.88
SIAO-SIALIC ACIDA1QDD0.88
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.88
SIAO-SIALIC ACIDA,B,C,D1ZAG0.88
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.88
SIAO-SIALIC ACIDB1H7T0.88
SIAO-SIALIC ACIDA,B2DS00.88
SIAO-SIALIC ACIDA2ZG10.88
SIAO-SIALIC ACIDA,B,C2DR00.88
SIAO-SIALIC ACIDA,B,C1UXB0.88
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.88
SIAO-SIALIC ACIDA,B2RFU0.88
SIAO-SIALIC ACIDA1W0O0.88
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.88
SIAO-SIALIC ACIDA,B,C1YA40.88
SIAO-SIALIC ACIDA,B,D2CWG0.88
SIAO-SIALIC ACIDA,B,C2DQZ0.88
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.88
SIAO-SIALIC ACIDA,B,C1YA80.88
SIAO-SIALIC ACIDA2C4A0.88
SIAO-SIALIC ACIDF,G,H1CT10.88
SIAO-SIALIC ACIDA1YYN0.88
SIAO-SIALIC ACIDA,B1JSO0.88
SIAO-SIALIC ACIDA,B1WGC0.88
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.88
SIAO-SIALIC ACIDA2BF60.88
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.88
SIAO-SIALIC ACIDA2DF30.88
SIAO-SIALIC ACIDA2BAT0.88
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.88
SIAO-SIALIC ACIDA,B1JSI0.88
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A1ZT40.72
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A,C,E2PO60.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.86
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.86
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.86
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.86
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.86
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.86
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.86
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.77
MGS1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-
BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-
MANNOPYRANOSIDE		H1F4X0.7
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1S0I0.79
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1Z4X0.79
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.85
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.71
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.85
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D1N470.74
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2CGZ0.74
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D2D3S0.74
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2D7R0.74
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.87
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.88
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.88
W726-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-
2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-
L-GULONIC ACID		A2FYV0.73
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1DIM0.72
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1INX0.72
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1INY0.72
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1DIL0.72
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1INV0.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.88
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.88
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.88
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.88
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.79
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
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.73
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.74
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.74
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.77
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.77
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.71
PBS(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-
D-GALACTOPYRANOSYL)OXY]-2-AMINO-
OCTADECANE-3,4-DIOL		A,C1Z5L0.72
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.86
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.91
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.83
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.83
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.83
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.76
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.76
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.76
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.76
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.76
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.76
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.76
GM2N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-2-YL]OXY}METHYL)OCTADECYL]OCTADECANAMIDE		A1GZP0.71
LP4(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-
5-((R)-3-HYDROXYTETRADECANAMIDO)-
3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.78
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID		A1QTE0.71
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.75
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.75
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.8
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.8
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.8
NA1METHYL N-ACETYL ALLOSAMINEA1HKJ0.71
NA1METHYL N-ACETYL ALLOSAMINEA,B3FY10.71
NA1METHYL N-ACETYL ALLOSAMINEA1HKI0.71
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,D3DCQ0.72
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.76
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.77
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.77
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.88