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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02509838

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.72
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.72
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.7
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.72
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.72
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.72
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.7
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.71
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A1ZT40.73
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE		A,C,E2PO60.73
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
GM2N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-2-YL]OXY}METHYL)OCTADECYL]OCTADECANAMIDE		A1GZP0.72
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.71
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.71
DH9(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-
2-HEXYL-3-HYDROXYHEXADECANOIC ACID		A,B2PX60.71
ERNA2O430.71
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.75
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.7
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.7
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.7
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)DEOXYCHOLAMIDEA2REW0.77
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.77
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.77
2G0(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-
3,4,5-trihydroxy-6-methyltetrahydro-
2H-pyran-2-yl]acetyl}amino)hexanoyl]-
N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-
2-carboxamide		A,B,C,D3DCQ0.75
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.72
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.72
LP5(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-
2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-
6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.71
GM3N-{1-[(HEXOPYRANOSYLOXY)METHYL]-
2-HYDROXYNONADECYL}TETRACOSANAMIDE		A2BV70.72
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.7
PBS(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-
D-GALACTOPYRANOSYL)OXY]-2-AMINO-
OCTADECANE-3,4-DIOL		A,C1Z5L0.73
ZITAZITHROMYCIN01NWY0.7
ZITAZITHROMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1M1K0.7
ZITAZITHROMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1YHQ0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.72
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.72
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.72
LP4(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-
5-((R)-3-HYDROXYTETRADECANAMIDO)-
3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-
4-YL) 3-HYDROXYTETRADECANOATE		A2E590.72
CHK6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-
6-DEOXY-D-XYLO-HEXITOL		B1Y010.72
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,D2Z2C0.74
QGA1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXYETHYL)AMINO]-
1-DEOXY-D-ALLITOL		A,B2JGQ0.73
SIAO-SIALIC ACIDA,B1DBN0.72
SIAO-SIALIC ACIDA,B,C2DQY0.72
SIAO-SIALIC ACIDA,B3H720.72
SIAO-SIALIC ACIDA1N1Y0.72
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.72
SIAO-SIALIC ACIDA,B,C1YAH0.72
SIAO-SIALIC ACIDA1MWE0.72
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.72
SIAO-SIALIC ACIDA2JH70.72
SIAO-SIALIC ACIDA1F310.72
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.72
SIAO-SIALIC ACIDA1W0P0.72
SIAO-SIALIC ACIDA,B2EHI0.72
SIAO-SIALIC ACIDA2RDG0.72
SIAO-SIALIC ACIDA,B2WGC0.72
SIAO-SIALIC ACIDA,B,C1USX0.72
SIAO-SIALIC ACIDH1MCO0.72
SIAO-SIALIC ACIDA,B,C,D1W200.72
SIAO-SIALIC ACIDA,B,C,D1G1R0.72
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.72
SIAO-SIALIC ACIDA1FV20.72
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.72
SIAO-SIALIC ACIDA,B,C1QFO0.72
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.72
SIAO-SIALIC ACIDB1URL0.72
SIAO-SIALIC ACIDA,B2RFT0.72
SIAO-SIALIC ACIDB,C,I1PTO0.72
SIAO-SIALIC ACIDA2HRL0.72
SIAO-SIALIC ACIDA2R610.72
SIAO-SIALIC ACIDA2ZG30.72
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.72
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.72
SIAO-SIALIC ACIDA,B,C,D1W1X0.72
SIAO-SIALIC ACIDA,B,C,D1WW40.72
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.72
SIAO-SIALIC ACIDA2V730.72
SIAO-SIALIC ACIDA,B1JSH0.72
SIAO-SIALIC ACIDA,B,C,D1W210.72
SIAO-SIALIC ACIDA,B1JSN0.72
SIAO-SIALIC ACIDA,B,C,D1OW00.72
SIAO-SIALIC ACIDA2OSX0.72
SIAO-SIALIC ACIDA,B,C,D1G1S0.72
SIAO-SIALIC ACIDA2C4L0.72
SIAO-SIALIC ACIDA2Z8L0.72
SIAO-SIALIC ACIDA2JHD0.72
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.72
SIAO-SIALIC ACIDA1G1T0.72
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.72
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.72
SIAO-SIALIC ACID1,2,32KMB0.72
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.72
SIAO-SIALIC ACIDA,B1NSC0.72
SIAO-SIALIC ACIDA,B,C2W680.72
SIAO-SIALIC ACIDA1SE30.72
SIAO-SIALIC ACIDA,B,C1UXA0.72
SIAO-SIALIC ACIDA2QWB0.72
SIAO-SIALIC ACIDA2VU90.72
SIAO-SIALIC ACIDH,J,L1RVT0.72
SIAO-SIALIC ACIDA,B1FV30.72
SIAO-SIALIC ACIDA,B2C250.72
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.72
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.72
SIAO-SIALIC ACIDA,B2WBW0.72
SIAO-SIALIC ACIDA,B1USR0.72
SIAO-SIALIC ACIDA,B,E1KJ20.72
SIAO-SIALIC ACIDA,B,C2HRR0.72
SIAO-SIALIC ACIDA1QDD0.72
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.72
SIAO-SIALIC ACIDA,B,C,D1ZAG0.72
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.72
SIAO-SIALIC ACIDB1H7T0.72
SIAO-SIALIC ACIDA,B2DS00.72
SIAO-SIALIC ACIDA2ZG10.72
SIAO-SIALIC ACIDA,B,C2DR00.72
SIAO-SIALIC ACIDA,B,C1UXB0.72
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.72
SIAO-SIALIC ACIDA,B2RFU0.72
SIAO-SIALIC ACIDA1W0O0.72
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.72
SIAO-SIALIC ACIDA,B,C1YA40.72
SIAO-SIALIC ACIDA,B,D2CWG0.72
SIAO-SIALIC ACIDA,B,C2DQZ0.72
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.72
SIAO-SIALIC ACIDA,B,C1YA80.72
SIAO-SIALIC ACIDA2C4A0.72
SIAO-SIALIC ACIDF,G,H1CT10.72
SIAO-SIALIC ACIDA1YYN0.72
SIAO-SIALIC ACIDA,B1JSO0.72
SIAO-SIALIC ACIDA,B1WGC0.72
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.72
SIAO-SIALIC ACIDA2BF60.72
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.72
SIAO-SIALIC ACIDA2DF30.72
SIAO-SIALIC ACIDA2BAT0.72
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.72
SIAO-SIALIC ACIDA,B1JSI0.72