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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00438759

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
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D1N470.78
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2CGZ0.78
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D2D3S0.78
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2D7R0.78
MGS1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-
BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-
MANNOPYRANOSIDE		H1F4X0.74
EAG2-aminoethyl 2-(acetylamino)-2-
deoxy-beta-D-glucopyranoside		B,D,E,F,H3BZ40.71
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.78
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.76
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.7
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.75
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.75
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.75
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH10.72
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DU10.72
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH00.72
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DVA0.72
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA1UGX0.72
XIL3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAHYDRO-
PYRAN-2-YLOXY)-PIPERIDIN-2-ONE		A1J010.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1M7D0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1LED0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1GSL0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWU0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B,C,D1G1R0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWV0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1G1T0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,33KMB0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,32KMB0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B1ZPL0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,34KMB0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,H1UZ80.72
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.76
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID		A1QTE0.78
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.74
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.75
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.78
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.78
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
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.75
GTH3-O-GLUCOPYRANOSYL-THREONINE-[2-
DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]		A1WCT0.76
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.71
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.74
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.75
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.75
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
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.76
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.76
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.76
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
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.73
SIAO-SIALIC ACIDA,B1DBN0.74
SIAO-SIALIC ACIDA,B,C2DQY0.74
SIAO-SIALIC ACIDA,B3H720.74
SIAO-SIALIC ACIDA1N1Y0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.74
SIAO-SIALIC ACIDA,B,C1YAH0.74
SIAO-SIALIC ACIDA1MWE0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.74
SIAO-SIALIC ACIDA2JH70.74
SIAO-SIALIC ACIDA1F310.74
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.74
SIAO-SIALIC ACIDA1W0P0.74
SIAO-SIALIC ACIDA,B2EHI0.74
SIAO-SIALIC ACIDA2RDG0.74
SIAO-SIALIC ACIDA,B2WGC0.74
SIAO-SIALIC ACIDA,B,C1USX0.74
SIAO-SIALIC ACIDH1MCO0.74
SIAO-SIALIC ACIDA,B,C,D1W200.74
SIAO-SIALIC ACIDA,B,C,D1G1R0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.74
SIAO-SIALIC ACIDA1FV20.74
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.74
SIAO-SIALIC ACIDA,B,C1QFO0.74
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.74
SIAO-SIALIC ACIDB1URL0.74
SIAO-SIALIC ACIDA,B2RFT0.74
SIAO-SIALIC ACIDB,C,I1PTO0.74
SIAO-SIALIC ACIDA2HRL0.74
SIAO-SIALIC ACIDA2R610.74
SIAO-SIALIC ACIDA2ZG30.74
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.74
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.74
SIAO-SIALIC ACIDA,B,C,D1W1X0.74
SIAO-SIALIC ACIDA,B,C,D1WW40.74
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.74
SIAO-SIALIC ACIDA2V730.74
SIAO-SIALIC ACIDA,B1JSH0.74
SIAO-SIALIC ACIDA,B,C,D1W210.74
SIAO-SIALIC ACIDA,B1JSN0.74
SIAO-SIALIC ACIDA,B,C,D1OW00.74
SIAO-SIALIC ACIDA2OSX0.74
SIAO-SIALIC ACIDA,B,C,D1G1S0.74
SIAO-SIALIC ACIDA2C4L0.74
SIAO-SIALIC ACIDA2Z8L0.74
SIAO-SIALIC ACIDA2JHD0.74
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.74
SIAO-SIALIC ACIDA1G1T0.74
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.74
SIAO-SIALIC ACID1,2,32KMB0.74
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.74
SIAO-SIALIC ACIDA,B1NSC0.74
SIAO-SIALIC ACIDA,B,C2W680.74
SIAO-SIALIC ACIDA1SE30.74
SIAO-SIALIC ACIDA,B,C1UXA0.74
SIAO-SIALIC ACIDA2QWB0.74
SIAO-SIALIC ACIDA2VU90.74
SIAO-SIALIC ACIDH,J,L1RVT0.74
SIAO-SIALIC ACIDA,B1FV30.74
SIAO-SIALIC ACIDA,B2C250.74
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.74
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.74
SIAO-SIALIC ACIDA,B2WBW0.74
SIAO-SIALIC ACIDA,B1USR0.74
SIAO-SIALIC ACIDA,B,E1KJ20.74
SIAO-SIALIC ACIDA,B,C2HRR0.74
SIAO-SIALIC ACIDA1QDD0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.74
SIAO-SIALIC ACIDA,B,C,D1ZAG0.74
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.74
SIAO-SIALIC ACIDB1H7T0.74
SIAO-SIALIC ACIDA,B2DS00.74
SIAO-SIALIC ACIDA2ZG10.74
SIAO-SIALIC ACIDA,B,C2DR00.74
SIAO-SIALIC ACIDA,B,C1UXB0.74
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.74
SIAO-SIALIC ACIDA,B2RFU0.74
SIAO-SIALIC ACIDA1W0O0.74
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.74
SIAO-SIALIC ACIDA,B,C1YA40.74
SIAO-SIALIC ACIDA,B,D2CWG0.74
SIAO-SIALIC ACIDA,B,C2DQZ0.74
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.74
SIAO-SIALIC ACIDA,B,C1YA80.74
SIAO-SIALIC ACIDA2C4A0.74
SIAO-SIALIC ACIDF,G,H1CT10.74
SIAO-SIALIC ACIDA1YYN0.74
SIAO-SIALIC ACIDA,B1JSO0.74
SIAO-SIALIC ACIDA,B1WGC0.74
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.74
SIAO-SIALIC ACIDA2BF60.74
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.74
SIAO-SIALIC ACIDA2DF30.74
SIAO-SIALIC ACIDA2BAT0.74
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.74
SIAO-SIALIC ACIDA,B1JSI0.74
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.73
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.73
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.72
MMRN-((2R,3R,4S,6S)-6-(HYDROXYMETHYL)-
2-METHOXY-4-((S)-1-OXOPROPAN-2-
YLOXY)TETRAHYDRO-2H-PYRAN-3-YL)ETHANAMIDE		L2EAX0.73
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.76
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.76
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.76
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.76
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.76
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.76
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.76
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B2VS40.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1W3G0.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B3EHN0.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1W3F0.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1ZJ10.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A2YY10.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1ZI30.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B2VS30.71
GYUGLYCOSYLURETHANA,B2UWG0.7
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
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
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.76
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
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