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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03261807

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MGS1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-
BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-
MANNOPYRANOSIDE		H1F4X0.73
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
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.75
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.75
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.75
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.75
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.75
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.75
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.75
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
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.71
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
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.78
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.75
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.77
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.77
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.74
GTH3-O-GLUCOPYRANOSYL-THREONINE-[2-
DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]		A1WCT0.75
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.71
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D1N470.75
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2CGZ0.75
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D2D3S0.75
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2D7R0.75
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1M7D0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1LED0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1GSL0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWU0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B,C,D1G1R0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWV0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1G1T0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,33KMB0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,32KMB0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B1ZPL0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,34KMB0.7
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,H1UZ80.7
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID		A1QTE0.77
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
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH10.7
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DU10.7
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH00.7
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DVA0.7
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA1UGX0.7
FSMFORSMANN ANTIGENA2CGY0.7
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol		A,B2VLC0.7
MGU2-O-[2-O-METHYL-4-[2,4-DIHYDROXY-
BUTYRAMIDO]-4,6-DIDEOXY-]-ALPHA-
D-MANNOPYRANOSYL-[1-O-METHYL-4-
[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-
DIDEOXY]-ALPHA-D-MANNOPYRANOSE		H1F4Y0.72
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.71
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.71
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.71
SIAO-SIALIC ACIDA,B1DBN0.73
SIAO-SIALIC ACIDA,B,C2DQY0.73
SIAO-SIALIC ACIDA,B3H720.73
SIAO-SIALIC ACIDA1N1Y0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.73
SIAO-SIALIC ACIDA,B,C1YAH0.73
SIAO-SIALIC ACIDA1MWE0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.73
SIAO-SIALIC ACIDA2JH70.73
SIAO-SIALIC ACIDA1F310.73
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.73
SIAO-SIALIC ACIDA1W0P0.73
SIAO-SIALIC ACIDA,B2EHI0.73
SIAO-SIALIC ACIDA2RDG0.73
SIAO-SIALIC ACIDA,B2WGC0.73
SIAO-SIALIC ACIDA,B,C1USX0.73
SIAO-SIALIC ACIDH1MCO0.73
SIAO-SIALIC ACIDA,B,C,D1W200.73
SIAO-SIALIC ACIDA,B,C,D1G1R0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.73
SIAO-SIALIC ACIDA1FV20.73
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.73
SIAO-SIALIC ACIDA,B,C1QFO0.73
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.73
SIAO-SIALIC ACIDB1URL0.73
SIAO-SIALIC ACIDA,B2RFT0.73
SIAO-SIALIC ACIDB,C,I1PTO0.73
SIAO-SIALIC ACIDA2HRL0.73
SIAO-SIALIC ACIDA2R610.73
SIAO-SIALIC ACIDA2ZG30.73
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.73
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.73
SIAO-SIALIC ACIDA,B,C,D1W1X0.73
SIAO-SIALIC ACIDA,B,C,D1WW40.73
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.73
SIAO-SIALIC ACIDA2V730.73
SIAO-SIALIC ACIDA,B1JSH0.73
SIAO-SIALIC ACIDA,B,C,D1W210.73
SIAO-SIALIC ACIDA,B1JSN0.73
SIAO-SIALIC ACIDA,B,C,D1OW00.73
SIAO-SIALIC ACIDA2OSX0.73
SIAO-SIALIC ACIDA,B,C,D1G1S0.73
SIAO-SIALIC ACIDA2C4L0.73
SIAO-SIALIC ACIDA2Z8L0.73
SIAO-SIALIC ACIDA2JHD0.73
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.73
SIAO-SIALIC ACIDA1G1T0.73
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.73
SIAO-SIALIC ACID1,2,32KMB0.73
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.73
SIAO-SIALIC ACIDA,B1NSC0.73
SIAO-SIALIC ACIDA,B,C2W680.73
SIAO-SIALIC ACIDA1SE30.73
SIAO-SIALIC ACIDA,B,C1UXA0.73
SIAO-SIALIC ACIDA2QWB0.73
SIAO-SIALIC ACIDA2VU90.73
SIAO-SIALIC ACIDH,J,L1RVT0.73
SIAO-SIALIC ACIDA,B1FV30.73
SIAO-SIALIC ACIDA,B2C250.73
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.73
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.73
SIAO-SIALIC ACIDA,B2WBW0.73
SIAO-SIALIC ACIDA,B1USR0.73
SIAO-SIALIC ACIDA,B,E1KJ20.73
SIAO-SIALIC ACIDA,B,C2HRR0.73
SIAO-SIALIC ACIDA1QDD0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.73
SIAO-SIALIC ACIDA,B,C,D1ZAG0.73
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.73
SIAO-SIALIC ACIDB1H7T0.73
SIAO-SIALIC ACIDA,B2DS00.73
SIAO-SIALIC ACIDA2ZG10.73
SIAO-SIALIC ACIDA,B,C2DR00.73
SIAO-SIALIC ACIDA,B,C1UXB0.73
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.73
SIAO-SIALIC ACIDA,B2RFU0.73
SIAO-SIALIC ACIDA1W0O0.73
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.73
SIAO-SIALIC ACIDA,B,C1YA40.73
SIAO-SIALIC ACIDA,B,D2CWG0.73
SIAO-SIALIC ACIDA,B,C2DQZ0.73
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.73
SIAO-SIALIC ACIDA,B,C1YA80.73
SIAO-SIALIC ACIDA2C4A0.73
SIAO-SIALIC ACIDF,G,H1CT10.73
SIAO-SIALIC ACIDA1YYN0.73
SIAO-SIALIC ACIDA,B1JSO0.73
SIAO-SIALIC ACIDA,B1WGC0.73
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.73
SIAO-SIALIC ACIDA2BF60.73
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.73
SIAO-SIALIC ACIDA2DF30.73
SIAO-SIALIC ACIDA2BAT0.73
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.73
SIAO-SIALIC ACIDA,B1JSI0.73
MMRN-((2R,3R,4S,6S)-6-(HYDROXYMETHYL)-
2-METHOXY-4-((S)-1-OXOPROPAN-2-
YLOXY)TETRAHYDRO-2H-PYRAN-3-YL)ETHANAMIDE		L2EAX0.72
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1S0I0.73
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1Z4X0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.73
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1LJN0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1ZU00.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A2HRH0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B1TW50.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,H2HRG0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)12BS70.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7T0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B2QT60.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1QBB0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7S0.7
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.72
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.72
B31(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-
5-amino-4-[(2,6-diamino-2,6-dideoxy-
alpha-D-glucopyranosyl)oxy]-2-hydroxy-
3-(beta-D-xylofuranosyloxy)cyclohexyl]-
2-hydroxybutanamide		A3H8P0.72
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.72
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.72
AB6(2R)-4-AMINO-N-((1R,2S,3R,4R,5S)-
5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-2-{2-[(3-
AMINOPROPYL)AMINO]ETHOXY}-3-HYDROXYCYCLOHEXYL)-
2-HYDROXYBUTANAMIDE		B2F4U0.7
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.75
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.7