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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03090315

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.85
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.85
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.85
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.85
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.85
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.85
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.85
GCSD-GLUCOSAMINEA3CO40.72
GCSD-GLUCOSAMINEA1QGI0.72
GCSD-GLUCOSAMINEA,B2VZS0.72
GCSD-GLUCOSAMINEA1E9L0.72
GCSD-GLUCOSAMINEA,B,C,D3FXI0.72
GCSD-GLUCOSAMINEA,B2VZV0.72
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.74
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.71
NORCYCLOHEXYL-NORSTATINEP1CZI0.71
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.71
PA1PAROMOMYCIN (RING 1)A1PBR0.72
PA1PAROMOMYCIN (RING 1)A1QKC0.72
PA1PAROMOMYCIN (RING 1)A1QFG0.72
PA1PAROMOMYCIN (RING 1)A1FI10.72
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.72
PA1PAROMOMYCIN (RING 1)A1QFF0.72
MURMURAMIC ACIDA,C,E,G1LOD0.83
DYH(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-
2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-
2H-furo[3,2-b]pyran-2-carboxylic acid		A2ZNT0.73
DYH(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-
2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-
2H-furo[3,2-b]pyran-2-carboxylic acid		A,B,C,D3GBA0.73
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.75
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.74
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.74
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.74
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.74
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.74
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.74
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.74
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.73
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.73
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
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.81
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.84
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.84
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.71
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.71
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R820.71
MDPN-CARBOXY-N-METHYL-MURAMIC ACID1,2,3,4,A,C,
E,G		1LOC0.72
SIAO-SIALIC ACIDA,B1DBN0.87
SIAO-SIALIC ACIDA,B,C2DQY0.87
SIAO-SIALIC ACIDA,B3H720.87
SIAO-SIALIC ACIDA1N1Y0.87
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.87
SIAO-SIALIC ACIDA,B,C1YAH0.87
SIAO-SIALIC ACIDA1MWE0.87
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.87
SIAO-SIALIC ACIDA2JH70.87
SIAO-SIALIC ACIDA1F310.87
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.87
SIAO-SIALIC ACIDA1W0P0.87
SIAO-SIALIC ACIDA,B2EHI0.87
SIAO-SIALIC ACIDA2RDG0.87
SIAO-SIALIC ACIDA,B2WGC0.87
SIAO-SIALIC ACIDA,B,C1USX0.87
SIAO-SIALIC ACIDH1MCO0.87
SIAO-SIALIC ACIDA,B,C,D1W200.87
SIAO-SIALIC ACIDA,B,C,D1G1R0.87
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.87
SIAO-SIALIC ACIDA1FV20.87
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.87
SIAO-SIALIC ACIDA,B,C1QFO0.87
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.87
SIAO-SIALIC ACIDB1URL0.87
SIAO-SIALIC ACIDA,B2RFT0.87
SIAO-SIALIC ACIDB,C,I1PTO0.87
SIAO-SIALIC ACIDA2HRL0.87
SIAO-SIALIC ACIDA2R610.87
SIAO-SIALIC ACIDA2ZG30.87
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.87
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.87
SIAO-SIALIC ACIDA,B,C,D1W1X0.87
SIAO-SIALIC ACIDA,B,C,D1WW40.87
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.87
SIAO-SIALIC ACIDA2V730.87
SIAO-SIALIC ACIDA,B1JSH0.87
SIAO-SIALIC ACIDA,B,C,D1W210.87
SIAO-SIALIC ACIDA,B1JSN0.87
SIAO-SIALIC ACIDA,B,C,D1OW00.87
SIAO-SIALIC ACIDA2OSX0.87
SIAO-SIALIC ACIDA,B,C,D1G1S0.87
SIAO-SIALIC ACIDA2C4L0.87
SIAO-SIALIC ACIDA2Z8L0.87
SIAO-SIALIC ACIDA2JHD0.87
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.87
SIAO-SIALIC ACIDA1G1T0.87
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.87
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.87
SIAO-SIALIC ACID1,2,32KMB0.87
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.87
SIAO-SIALIC ACIDA,B1NSC0.87
SIAO-SIALIC ACIDA,B,C2W680.87
SIAO-SIALIC ACIDA1SE30.87
SIAO-SIALIC ACIDA,B,C1UXA0.87
SIAO-SIALIC ACIDA2QWB0.87
SIAO-SIALIC ACIDA2VU90.87
SIAO-SIALIC ACIDH,J,L1RVT0.87
SIAO-SIALIC ACIDA,B1FV30.87
SIAO-SIALIC ACIDA,B2C250.87
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.87
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.87
SIAO-SIALIC ACIDA,B2WBW0.87
SIAO-SIALIC ACIDA,B1USR0.87
SIAO-SIALIC ACIDA,B,E1KJ20.87
SIAO-SIALIC ACIDA,B,C2HRR0.87
SIAO-SIALIC ACIDA1QDD0.87
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.87
SIAO-SIALIC ACIDA,B,C,D1ZAG0.87
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.87
SIAO-SIALIC ACIDB1H7T0.87
SIAO-SIALIC ACIDA,B2DS00.87
SIAO-SIALIC ACIDA2ZG10.87
SIAO-SIALIC ACIDA,B,C2DR00.87
SIAO-SIALIC ACIDA,B,C1UXB0.87
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.87
SIAO-SIALIC ACIDA,B2RFU0.87
SIAO-SIALIC ACIDA1W0O0.87
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.87
SIAO-SIALIC ACIDA,B,C1YA40.87
SIAO-SIALIC ACIDA,B,D2CWG0.87
SIAO-SIALIC ACIDA,B,C2DQZ0.87
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.87
SIAO-SIALIC ACIDA,B,C1YA80.87
SIAO-SIALIC ACIDA2C4A0.87
SIAO-SIALIC ACIDF,G,H1CT10.87
SIAO-SIALIC ACIDA1YYN0.87
SIAO-SIALIC ACIDA,B1JSO0.87
SIAO-SIALIC ACIDA,B1WGC0.87
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.87
SIAO-SIALIC ACIDA2BF60.87
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.87
SIAO-SIALIC ACIDA2DF30.87
SIAO-SIALIC ACIDA2BAT0.87
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.87
SIAO-SIALIC ACIDA,B1JSI0.87
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.73
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.71
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A1ZT40.7
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A,C,E2PO60.7
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		A,B,I1HIV0.72
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVP0.72
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.7
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.87
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.88
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.88
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.71
PBS(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-
D-GALACTOPYRANOSYL)OXY]-2-AMINO-
OCTADECANE-3,4-DIOL		A,C1Z5L0.7
MS8(2R,3aR,7aR)-2-[(2S)-2-amino-3-
hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-
hexahydrofuro[4,5-b]pyran-2-carboxylic acid		A,B3GBB0.77
CBFC-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4J0.76
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.7
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.7
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,D2Z2C0.7
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.72
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.72
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.72
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.72
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.72
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.72
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.72
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.72
GLGALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDEA1GG80.73
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.77
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.82
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.82
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.82
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.72
NDZ(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-
2-carboxyethyl]-6,7-dihydroxyhexahydro-
2H-furo[3,2-b]pyran-2-carboxylic acid		A2ZNU0.78
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.85
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.72
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1S0I0.78
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1Z4X0.78
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.83
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.83
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.83
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.83