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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03859325

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.73
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
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,D2Z2C0.76
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.84
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
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.75
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.75
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.75
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.75
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.75
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.75
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.75
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
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.75
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.81
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2HIL0.75
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A2HI20.75
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
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.73
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.73
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.72
MDZN~6~-METHYL-6-OXO-L-LYSINE - 2-
[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID		A1W3V0.73
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.72
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.75
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.83
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A2BWM0.73
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A1O9V0.73
V10N^6^-[(1R)-2-[(1R)-1-carboxy-2-
(methylsulfanyl)ethoxy]-2-oxo-1-
(sulfanylmethyl)ethyl]-6-oxo-L-
lysine		A2VBD0.72
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.76
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.76
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.71
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		A2ZNT0.7
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
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.74
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.74
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.74
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.71
V20N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-
2-OXO-1-(SULFANYLMETHYL)ETHYL]-
6-OXO-L-LYSINE		A2VAU0.72
LP4(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-
5-((R)-3-HYDROXYTETRADECANAMIDO)-
3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.73
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.71
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.72
OCVN6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOMETHYL)-2-OXOETHYL]-
6-OXO-D-LYSINE		A1HB10.73
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.72
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.72
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
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.72
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.72
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.77
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2QWH0.71
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A3CL00.71
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2QWK0.71
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H		3CL20.71
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2HT80.71
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2HT70.71
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		B2HU00.71
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H		2HU40.71
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
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.82
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE		A,D,M,N,Z2F4V0.72
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE		B2F4T0.72
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID		A1QTE0.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB20.72
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB40.72
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB30.72
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.78
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.8
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ1
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG1
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.72
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine		A2VE10.73
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine		A2VCM0.73
MLDGLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-
L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA		A,X2F2L0.73
MLDGLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-
L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA		A,B,C,D2CB30.73
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