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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03427822

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.7
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.77
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.77
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.77
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.77
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.77
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.71
C6LN-hexanoyl-L-homoserineA3DHA0.71
C6LN-hexanoyl-L-homoserineA3DHB0.71
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.76
HQ6N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-
7-(hydroxymethyl)azepan-4-yl]acetamide		A,B2W660.72
AMK(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-
1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-
CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-
HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-
ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-
BUTYRIC ACID		A,B,C1YM40.75
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID		A1DRT0.71
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.76
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.76
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.88
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.75
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.71
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide		A,B,C3DV10.71
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.73
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.73
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.73
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.71
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.81
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.81
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.81
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.7
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D1N470.71
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2CGZ0.71
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D2D3S0.71
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2D7R0.71
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
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID		C,D1OKX0.73
LP4(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-
5-((R)-3-HYDROXYTETRADECANAMIDO)-
3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.75
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
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,D3DCQ0.74
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,D2Z2C0.72
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.72
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.72
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.98
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.77
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.85
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.76
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.76
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.76
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.76
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.76
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.76
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.76
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.77
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.71
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		A3EMY0.73
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		A2H6T0.73
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,B1LS50.73
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,B1SME0.73
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,C1W6I0.73
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,B1XDH0.73
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,B2QZX0.73
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		A1IZE0.73
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,B1M430.73
SIAO-SIALIC ACIDA,B1DBN0.77
SIAO-SIALIC ACIDA,B,C2DQY0.77
SIAO-SIALIC ACIDA,B3H720.77
SIAO-SIALIC ACIDA1N1Y0.77
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.77
SIAO-SIALIC ACIDA,B,C1YAH0.77
SIAO-SIALIC ACIDA1MWE0.77
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.77
SIAO-SIALIC ACIDA2JH70.77
SIAO-SIALIC ACIDA1F310.77
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.77
SIAO-SIALIC ACIDA1W0P0.77
SIAO-SIALIC ACIDA,B2EHI0.77
SIAO-SIALIC ACIDA2RDG0.77
SIAO-SIALIC ACIDA,B2WGC0.77
SIAO-SIALIC ACIDA,B,C1USX0.77
SIAO-SIALIC ACIDH1MCO0.77
SIAO-SIALIC ACIDA,B,C,D1W200.77
SIAO-SIALIC ACIDA,B,C,D1G1R0.77
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.77
SIAO-SIALIC ACIDA1FV20.77
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.77
SIAO-SIALIC ACIDA,B,C1QFO0.77
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.77
SIAO-SIALIC ACIDB1URL0.77
SIAO-SIALIC ACIDA,B2RFT0.77
SIAO-SIALIC ACIDB,C,I1PTO0.77
SIAO-SIALIC ACIDA2HRL0.77
SIAO-SIALIC ACIDA2R610.77
SIAO-SIALIC ACIDA2ZG30.77
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.77
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.77
SIAO-SIALIC ACIDA,B,C,D1W1X0.77
SIAO-SIALIC ACIDA,B,C,D1WW40.77
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.77
SIAO-SIALIC ACIDA2V730.77
SIAO-SIALIC ACIDA,B1JSH0.77
SIAO-SIALIC ACIDA,B,C,D1W210.77
SIAO-SIALIC ACIDA,B1JSN0.77
SIAO-SIALIC ACIDA,B,C,D1OW00.77
SIAO-SIALIC ACIDA2OSX0.77
SIAO-SIALIC ACIDA,B,C,D1G1S0.77
SIAO-SIALIC ACIDA2C4L0.77
SIAO-SIALIC ACIDA2Z8L0.77
SIAO-SIALIC ACIDA2JHD0.77
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.77
SIAO-SIALIC ACIDA1G1T0.77
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.77
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.77
SIAO-SIALIC ACID1,2,32KMB0.77
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.77
SIAO-SIALIC ACIDA,B1NSC0.77
SIAO-SIALIC ACIDA,B,C2W680.77
SIAO-SIALIC ACIDA1SE30.77
SIAO-SIALIC ACIDA,B,C1UXA0.77
SIAO-SIALIC ACIDA2QWB0.77
SIAO-SIALIC ACIDA2VU90.77
SIAO-SIALIC ACIDH,J,L1RVT0.77
SIAO-SIALIC ACIDA,B1FV30.77
SIAO-SIALIC ACIDA,B2C250.77
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.77
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.77
SIAO-SIALIC ACIDA,B2WBW0.77
SIAO-SIALIC ACIDA,B1USR0.77
SIAO-SIALIC ACIDA,B,E1KJ20.77
SIAO-SIALIC ACIDA,B,C2HRR0.77
SIAO-SIALIC ACIDA1QDD0.77
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.77
SIAO-SIALIC ACIDA,B,C,D1ZAG0.77
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.77
SIAO-SIALIC ACIDB1H7T0.77
SIAO-SIALIC ACIDA,B2DS00.77
SIAO-SIALIC ACIDA2ZG10.77
SIAO-SIALIC ACIDA,B,C2DR00.77
SIAO-SIALIC ACIDA,B,C1UXB0.77
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.77
SIAO-SIALIC ACIDA,B2RFU0.77
SIAO-SIALIC ACIDA1W0O0.77
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.77
SIAO-SIALIC ACIDA,B,C1YA40.77
SIAO-SIALIC ACIDA,B,D2CWG0.77
SIAO-SIALIC ACIDA,B,C2DQZ0.77
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.77
SIAO-SIALIC ACIDA,B,C1YA80.77
SIAO-SIALIC ACIDA2C4A0.77
SIAO-SIALIC ACIDF,G,H1CT10.77
SIAO-SIALIC ACIDA1YYN0.77
SIAO-SIALIC ACIDA,B1JSO0.77
SIAO-SIALIC ACIDA,B1WGC0.77
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.77
SIAO-SIALIC ACIDA2BF60.77
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.77
SIAO-SIALIC ACIDA2DF30.77
SIAO-SIALIC ACIDA2BAT0.77
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.77
SIAO-SIALIC ACIDA,B1JSI0.77
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.87