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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03033054

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.71
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.71
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
SIAO-SIALIC ACIDA,B1DBN0.8
SIAO-SIALIC ACIDA,B,C2DQY0.8
SIAO-SIALIC ACIDA,B3H720.8
SIAO-SIALIC ACIDA1N1Y0.8
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.8
SIAO-SIALIC ACIDA,B,C1YAH0.8
SIAO-SIALIC ACIDA1MWE0.8
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.8
SIAO-SIALIC ACIDA2JH70.8
SIAO-SIALIC ACIDA1F310.8
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.8
SIAO-SIALIC ACIDA1W0P0.8
SIAO-SIALIC ACIDA,B2EHI0.8
SIAO-SIALIC ACIDA2RDG0.8
SIAO-SIALIC ACIDA,B2WGC0.8
SIAO-SIALIC ACIDA,B,C1USX0.8
SIAO-SIALIC ACIDH1MCO0.8
SIAO-SIALIC ACIDA,B,C,D1W200.8
SIAO-SIALIC ACIDA,B,C,D1G1R0.8
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.8
SIAO-SIALIC ACIDA1FV20.8
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.8
SIAO-SIALIC ACIDA,B,C1QFO0.8
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.8
SIAO-SIALIC ACIDB1URL0.8
SIAO-SIALIC ACIDA,B2RFT0.8
SIAO-SIALIC ACIDB,C,I1PTO0.8
SIAO-SIALIC ACIDA2HRL0.8
SIAO-SIALIC ACIDA2R610.8
SIAO-SIALIC ACIDA2ZG30.8
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.8
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.8
SIAO-SIALIC ACIDA,B,C,D1W1X0.8
SIAO-SIALIC ACIDA,B,C,D1WW40.8
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.8
SIAO-SIALIC ACIDA2V730.8
SIAO-SIALIC ACIDA,B1JSH0.8
SIAO-SIALIC ACIDA,B,C,D1W210.8
SIAO-SIALIC ACIDA,B1JSN0.8
SIAO-SIALIC ACIDA,B,C,D1OW00.8
SIAO-SIALIC ACIDA2OSX0.8
SIAO-SIALIC ACIDA,B,C,D1G1S0.8
SIAO-SIALIC ACIDA2C4L0.8
SIAO-SIALIC ACIDA2Z8L0.8
SIAO-SIALIC ACIDA2JHD0.8
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.8
SIAO-SIALIC ACIDA1G1T0.8
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.8
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.8
SIAO-SIALIC ACID1,2,32KMB0.8
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.8
SIAO-SIALIC ACIDA,B1NSC0.8
SIAO-SIALIC ACIDA,B,C2W680.8
SIAO-SIALIC ACIDA1SE30.8
SIAO-SIALIC ACIDA,B,C1UXA0.8
SIAO-SIALIC ACIDA2QWB0.8
SIAO-SIALIC ACIDA2VU90.8
SIAO-SIALIC ACIDH,J,L1RVT0.8
SIAO-SIALIC ACIDA,B1FV30.8
SIAO-SIALIC ACIDA,B2C250.8
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.8
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.8
SIAO-SIALIC ACIDA,B2WBW0.8
SIAO-SIALIC ACIDA,B1USR0.8
SIAO-SIALIC ACIDA,B,E1KJ20.8
SIAO-SIALIC ACIDA,B,C2HRR0.8
SIAO-SIALIC ACIDA1QDD0.8
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.8
SIAO-SIALIC ACIDA,B,C,D1ZAG0.8
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.8
SIAO-SIALIC ACIDB1H7T0.8
SIAO-SIALIC ACIDA,B2DS00.8
SIAO-SIALIC ACIDA2ZG10.8
SIAO-SIALIC ACIDA,B,C2DR00.8
SIAO-SIALIC ACIDA,B,C1UXB0.8
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.8
SIAO-SIALIC ACIDA,B2RFU0.8
SIAO-SIALIC ACIDA1W0O0.8
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.8
SIAO-SIALIC ACIDA,B,C1YA40.8
SIAO-SIALIC ACIDA,B,D2CWG0.8
SIAO-SIALIC ACIDA,B,C2DQZ0.8
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.8
SIAO-SIALIC ACIDA,B,C1YA80.8
SIAO-SIALIC ACIDA2C4A0.8
SIAO-SIALIC ACIDF,G,H1CT10.8
SIAO-SIALIC ACIDA1YYN0.8
SIAO-SIALIC ACIDA,B1JSO0.8
SIAO-SIALIC ACIDA,B1WGC0.8
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.8
SIAO-SIALIC ACIDA2BF60.8
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.8
SIAO-SIALIC ACIDA2DF30.8
SIAO-SIALIC ACIDA2BAT0.8
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.8
SIAO-SIALIC ACIDA,B1JSI0.8
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.88
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A1L7G0.71
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A2HTU0.71
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A2F100.71
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A1L7H0.71
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A1L7F0.71
LP5(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-
2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-
6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.8
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.8
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.78
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		A3EMY0.71
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		A2H6T0.71
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		A,B1LS50.71
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		A,B1SME0.71
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		A,C1W6I0.71
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		A,B1XDH0.71
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		A,B2QZX0.71
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		A1IZE0.71
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		A,B1M430.71
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.74
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.79
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.79
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,C1YM40.72
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.72
LP4(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-
5-((R)-3-HYDROXYTETRADECANAMIDO)-
3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.78
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.78
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.78
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.78
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.78
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.78
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.78
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.76
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.73
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.73
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.73
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.75
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.75
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.75
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.86
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.77
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.79
W726-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-
2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-
L-GULONIC ACID		A2FYV0.71
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.74
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.74
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.78
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.89
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1S0I0.72
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1Z4X0.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.8
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.8
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.8
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.8
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.86