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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02460260

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.7
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.72
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
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A2BWM0.72
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A1O9V0.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.73
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.73
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.73
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.73
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.72
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.81
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.8
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.71
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.73
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.78
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.72
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.72
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2HIL0.7
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A2HI20.7
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.73
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.72
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.72
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.72
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.72
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.72
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.7
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.7
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.72
HQ6N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-
7-(hydroxymethyl)azepan-4-yl]acetamide		A,B2W660.71
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
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.71
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
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
MMRN-((2R,3R,4S,6S)-6-(HYDROXYMETHYL)-
2-METHOXY-4-((S)-1-OXOPROPAN-2-
YLOXY)TETRAHYDRO-2H-PYRAN-3-YL)ETHANAMIDE		L2EAX0.72
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.7
MG8N-OCTANOYL-N-METHYLGLUCAMINEA,B1SMH0.71
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q610.71
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q8U0.71
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1SVE0.71
W726-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-
2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-
L-GULONIC ACID		A2FYV0.76
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
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.71
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL		A1XUZ0.71
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.71
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,D2Z2C0.75
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.72
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.7
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.7
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.77
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.73
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.73
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.8
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.8
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.8
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.7
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.74
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.74
8GPA2F3U0.7