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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03130547

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.8
CBFC-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4J0.7
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.72
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.72
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.72
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
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.71
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.7
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL		A1XUZ0.7
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.74
HG91-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOLA,B,C,D1SO20.79
SIAO-SIALIC ACIDA,B1DBN0.76
SIAO-SIALIC ACIDA,B,C2DQY0.76
SIAO-SIALIC ACIDA,B3H720.76
SIAO-SIALIC ACIDA1N1Y0.76
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.76
SIAO-SIALIC ACIDA,B,C1YAH0.76
SIAO-SIALIC ACIDA1MWE0.76
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.76
SIAO-SIALIC ACIDA2JH70.76
SIAO-SIALIC ACIDA1F310.76
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.76
SIAO-SIALIC ACIDA1W0P0.76
SIAO-SIALIC ACIDA,B2EHI0.76
SIAO-SIALIC ACIDA2RDG0.76
SIAO-SIALIC ACIDA,B2WGC0.76
SIAO-SIALIC ACIDA,B,C1USX0.76
SIAO-SIALIC ACIDH1MCO0.76
SIAO-SIALIC ACIDA,B,C,D1W200.76
SIAO-SIALIC ACIDA,B,C,D1G1R0.76
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.76
SIAO-SIALIC ACIDA1FV20.76
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.76
SIAO-SIALIC ACIDA,B,C1QFO0.76
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.76
SIAO-SIALIC ACIDB1URL0.76
SIAO-SIALIC ACIDA,B2RFT0.76
SIAO-SIALIC ACIDB,C,I1PTO0.76
SIAO-SIALIC ACIDA2HRL0.76
SIAO-SIALIC ACIDA2R610.76
SIAO-SIALIC ACIDA2ZG30.76
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.76
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.76
SIAO-SIALIC ACIDA,B,C,D1W1X0.76
SIAO-SIALIC ACIDA,B,C,D1WW40.76
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.76
SIAO-SIALIC ACIDA2V730.76
SIAO-SIALIC ACIDA,B1JSH0.76
SIAO-SIALIC ACIDA,B,C,D1W210.76
SIAO-SIALIC ACIDA,B1JSN0.76
SIAO-SIALIC ACIDA,B,C,D1OW00.76
SIAO-SIALIC ACIDA2OSX0.76
SIAO-SIALIC ACIDA,B,C,D1G1S0.76
SIAO-SIALIC ACIDA2C4L0.76
SIAO-SIALIC ACIDA2Z8L0.76
SIAO-SIALIC ACIDA2JHD0.76
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.76
SIAO-SIALIC ACIDA1G1T0.76
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.76
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.76
SIAO-SIALIC ACID1,2,32KMB0.76
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.76
SIAO-SIALIC ACIDA,B1NSC0.76
SIAO-SIALIC ACIDA,B,C2W680.76
SIAO-SIALIC ACIDA1SE30.76
SIAO-SIALIC ACIDA,B,C1UXA0.76
SIAO-SIALIC ACIDA2QWB0.76
SIAO-SIALIC ACIDA2VU90.76
SIAO-SIALIC ACIDH,J,L1RVT0.76
SIAO-SIALIC ACIDA,B1FV30.76
SIAO-SIALIC ACIDA,B2C250.76
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.76
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.76
SIAO-SIALIC ACIDA,B2WBW0.76
SIAO-SIALIC ACIDA,B1USR0.76
SIAO-SIALIC ACIDA,B,E1KJ20.76
SIAO-SIALIC ACIDA,B,C2HRR0.76
SIAO-SIALIC ACIDA1QDD0.76
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.76
SIAO-SIALIC ACIDA,B,C,D1ZAG0.76
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.76
SIAO-SIALIC ACIDB1H7T0.76
SIAO-SIALIC ACIDA,B2DS00.76
SIAO-SIALIC ACIDA2ZG10.76
SIAO-SIALIC ACIDA,B,C2DR00.76
SIAO-SIALIC ACIDA,B,C1UXB0.76
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.76
SIAO-SIALIC ACIDA,B2RFU0.76
SIAO-SIALIC ACIDA1W0O0.76
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.76
SIAO-SIALIC ACIDA,B,C1YA40.76
SIAO-SIALIC ACIDA,B,D2CWG0.76
SIAO-SIALIC ACIDA,B,C2DQZ0.76
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.76
SIAO-SIALIC ACIDA,B,C1YA80.76
SIAO-SIALIC ACIDA2C4A0.76
SIAO-SIALIC ACIDF,G,H1CT10.76
SIAO-SIALIC ACIDA1YYN0.76
SIAO-SIALIC ACIDA,B1JSO0.76
SIAO-SIALIC ACIDA,B1WGC0.76
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.76
SIAO-SIALIC ACIDA2BF60.76
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.76
SIAO-SIALIC ACIDA2DF30.76
SIAO-SIALIC ACIDA2BAT0.76
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.76
SIAO-SIALIC ACIDA,B1JSI0.76
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.74
W726-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-
2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-
L-GULONIC ACID		A2FYV0.74
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.71
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.76
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.76
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A,B1UZ10.75
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A2V380.75
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A,B2VJX0.75
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A1UZ40.75
HQ6N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-
7-(hydroxymethyl)azepan-4-yl]acetamide		A,B2W660.74
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.71
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.81
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.76
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.76
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.76
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.76
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.71
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.72
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.72
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.72
GLGALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDEA1GG80.74
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A2BWM0.71
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A1O9V0.71
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.82
QGA1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXYETHYL)AMINO]-
1-DEOXY-D-ALLITOL		A,B2JGQ0.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.76
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.76
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.76
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.76
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.74
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.74
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.75
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.75
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.77
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.77
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.71
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,D2Z2C0.72
MG8N-OCTANOYL-N-METHYLGLUCAMINEA,B1SMH0.81
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q610.81
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q8U0.81
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1SVE0.81
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.74
MGS1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-
BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-
MANNOPYRANOSIDE		H1F4X0.71
LP4(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-
5-((R)-3-HYDROXYTETRADECANAMIDO)-
3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.7
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.75
CHK6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-
6-DEOXY-D-XYLO-HEXITOL		B1Y010.72
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.74
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.74
GL78,9,10-TRIHYDROXY-7-HYDROXYMETHYL-
3-METHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-
2,4-DIONE		A1FTY0.71
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.84