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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025947

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMK(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-
1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-
CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-
HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-
ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-
BUTYRIC ACID		A,B,C1YM40.73
QGA1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXYETHYL)AMINO]-
1-DEOXY-D-ALLITOL		A,B2JGQ0.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.7
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.73
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.75
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.75
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.75
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE		A2DCB0.73
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		A2ZNT0.77
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,D3GBA0.77
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.78
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE		A2DCA0.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.74
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.74
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.74
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.74
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
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.73
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE		A,D,M,N,Z2F4V0.71
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE		B2F4T0.71
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.73
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.74
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,D3DCQ0.73
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.72
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.77
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.74
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.74
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.74
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.7
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.7
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.7
SIAO-SIALIC ACIDA,B1DBN0.74
SIAO-SIALIC ACIDA,B,C2DQY0.74
SIAO-SIALIC ACIDA,B3H720.74
SIAO-SIALIC ACIDA1N1Y0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.74
SIAO-SIALIC ACIDA,B,C1YAH0.74
SIAO-SIALIC ACIDA1MWE0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.74
SIAO-SIALIC ACIDA2JH70.74
SIAO-SIALIC ACIDA1F310.74
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.74
SIAO-SIALIC ACIDA1W0P0.74
SIAO-SIALIC ACIDA,B2EHI0.74
SIAO-SIALIC ACIDA2RDG0.74
SIAO-SIALIC ACIDA,B2WGC0.74
SIAO-SIALIC ACIDA,B,C1USX0.74
SIAO-SIALIC ACIDH1MCO0.74
SIAO-SIALIC ACIDA,B,C,D1W200.74
SIAO-SIALIC ACIDA,B,C,D1G1R0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.74
SIAO-SIALIC ACIDA1FV20.74
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.74
SIAO-SIALIC ACIDA,B,C1QFO0.74
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.74
SIAO-SIALIC ACIDB1URL0.74
SIAO-SIALIC ACIDA,B2RFT0.74
SIAO-SIALIC ACIDB,C,I1PTO0.74
SIAO-SIALIC ACIDA2HRL0.74
SIAO-SIALIC ACIDA2R610.74
SIAO-SIALIC ACIDA2ZG30.74
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.74
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.74
SIAO-SIALIC ACIDA,B,C,D1W1X0.74
SIAO-SIALIC ACIDA,B,C,D1WW40.74
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.74
SIAO-SIALIC ACIDA2V730.74
SIAO-SIALIC ACIDA,B1JSH0.74
SIAO-SIALIC ACIDA,B,C,D1W210.74
SIAO-SIALIC ACIDA,B1JSN0.74
SIAO-SIALIC ACIDA,B,C,D1OW00.74
SIAO-SIALIC ACIDA2OSX0.74
SIAO-SIALIC ACIDA,B,C,D1G1S0.74
SIAO-SIALIC ACIDA2C4L0.74
SIAO-SIALIC ACIDA2Z8L0.74
SIAO-SIALIC ACIDA2JHD0.74
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.74
SIAO-SIALIC ACIDA1G1T0.74
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.74
SIAO-SIALIC ACID1,2,32KMB0.74
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.74
SIAO-SIALIC ACIDA,B1NSC0.74
SIAO-SIALIC ACIDA,B,C2W680.74
SIAO-SIALIC ACIDA1SE30.74
SIAO-SIALIC ACIDA,B,C1UXA0.74
SIAO-SIALIC ACIDA2QWB0.74
SIAO-SIALIC ACIDA2VU90.74
SIAO-SIALIC ACIDH,J,L1RVT0.74
SIAO-SIALIC ACIDA,B1FV30.74
SIAO-SIALIC ACIDA,B2C250.74
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.74
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.74
SIAO-SIALIC ACIDA,B2WBW0.74
SIAO-SIALIC ACIDA,B1USR0.74
SIAO-SIALIC ACIDA,B,E1KJ20.74
SIAO-SIALIC ACIDA,B,C2HRR0.74
SIAO-SIALIC ACIDA1QDD0.74
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.74
SIAO-SIALIC ACIDA,B,C,D1ZAG0.74
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.74
SIAO-SIALIC ACIDB1H7T0.74
SIAO-SIALIC ACIDA,B2DS00.74
SIAO-SIALIC ACIDA2ZG10.74
SIAO-SIALIC ACIDA,B,C2DR00.74
SIAO-SIALIC ACIDA,B,C1UXB0.74
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.74
SIAO-SIALIC ACIDA,B2RFU0.74
SIAO-SIALIC ACIDA1W0O0.74
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.74
SIAO-SIALIC ACIDA,B,C1YA40.74
SIAO-SIALIC ACIDA,B,D2CWG0.74
SIAO-SIALIC ACIDA,B,C2DQZ0.74
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.74
SIAO-SIALIC ACIDA,B,C1YA80.74
SIAO-SIALIC ACIDA2C4A0.74
SIAO-SIALIC ACIDF,G,H1CT10.74
SIAO-SIALIC ACIDA1YYN0.74
SIAO-SIALIC ACIDA,B1JSO0.74
SIAO-SIALIC ACIDA,B1WGC0.74
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.74
SIAO-SIALIC ACIDA2BF60.74
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.74
SIAO-SIALIC ACIDA2DF30.74
SIAO-SIALIC ACIDA2BAT0.74
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.74
SIAO-SIALIC ACIDA,B1JSI0.74
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
DH9(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-
2-HEXYL-3-HYDROXYHEXADECANOIC ACID		A,B2PX60.72
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.73
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.72
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide		A,B,C3DV10.72
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.71
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.75
CHK6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-
6-DEOXY-D-XYLO-HEXITOL		B1Y010.7
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.73
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.73
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.75
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.77
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.72
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE		A2DC70.72
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.71
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.77
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.77
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.72
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.72
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
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		A3EMY0.75
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		A2H6T0.75
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,B1LS50.75
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,B1SME0.75
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,C1W6I0.75
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,B1XDH0.75
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,B2QZX0.75
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		A1IZE0.75
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,B1M430.75
MLDGLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-
L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA		A,X2F2L0.73
MLDGLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-
L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA		A,B,C,D2CB30.73