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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03260271

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GTH3-O-GLUCOPYRANOSYL-THREONINE-[2-
DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]		A1WCT0.7
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.72
W726-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-
2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-
L-GULONIC ACID		A2FYV0.77
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
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.79
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.72
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D1N470.72
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2CGZ0.72
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D2D3S0.72
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2D7R0.72
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.8
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.7
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.71
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.72
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A3EMY0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A2H6T0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1LS50.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1SME0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,C1W6I0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1XDH0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B2QZX0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A1IZE0.71
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1M430.71
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.71
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.77
NSKN-SUCCINYL LYSINEA2P8B0.72
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB20.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB40.71
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE		A1HB30.71
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.73
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.71
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.74
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.7
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.7
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.81
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.81
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.81
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.7
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A,B1UZ10.71
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A2V380.71
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A,B2VJX0.71
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A1UZ40.71
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.7
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.84
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.73
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID		C,D1OKX0.74
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,D2Z2C0.77
VAZN^6^-{(1R)-2-{[(1S,2R)-1-carboxy-
2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-
1-[(oxidosulfanyl)methyl]-2-oxoethyl}-
6-oxo-L-lysine		A2VBB0.7
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
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.73
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.71
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.7
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.71
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.71
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.71
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.71
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.71
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.71
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.71
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
C6LN-hexanoyl-L-homoserineA3DHA0.74
C6LN-hexanoyl-L-homoserineA3DHB0.74
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.72
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.71
LLYNZ-(DICARBOXYMETHYL)LYSINEA,B1UCW0.72
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.71
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
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID		A1DRT0.72