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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03219727

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D1N470.7
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2CGZ0.7
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D2D3S0.7
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2D7R0.7
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A2BWM0.7
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A1O9V0.7
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A,B1UZ10.72
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A2V380.72
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A,B2VJX0.72
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A1UZ40.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.74
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.74
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.74
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.74
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.74
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.74
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.74
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.76
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.71
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.7
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.87
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
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.7
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.7
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.7
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.7
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.7
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.7
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.7
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.71
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB20.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB40.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB30.71
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.73
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.71
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.73
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.7
W726-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-
2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-
L-GULONIC ACID		A2FYV0.73
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.82
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.71
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.73
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
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.87
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.87
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.87
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.72
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
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.84
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
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.8
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID		C,D1OKX0.74
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,D2Z2C0.77
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.71
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.7
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.7
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.74
C6LN-hexanoyl-L-homoserineA3DHA0.74
C6LN-hexanoyl-L-homoserineA3DHB0.74
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID		A1DRT0.72