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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00026147

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.76
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,D2Z2C0.71
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.74
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.71
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.71
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.71
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
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		A2ZNT0.75
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,D3GBA0.75
SIAO-SIALIC ACIDA,B1DBN0.71
SIAO-SIALIC ACIDA,B,C2DQY0.71
SIAO-SIALIC ACIDA,B3H720.71
SIAO-SIALIC ACIDA1N1Y0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.71
SIAO-SIALIC ACIDA,B,C1YAH0.71
SIAO-SIALIC ACIDA1MWE0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.71
SIAO-SIALIC ACIDA2JH70.71
SIAO-SIALIC ACIDA1F310.71
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.71
SIAO-SIALIC ACIDA1W0P0.71
SIAO-SIALIC ACIDA,B2EHI0.71
SIAO-SIALIC ACIDA2RDG0.71
SIAO-SIALIC ACIDA,B2WGC0.71
SIAO-SIALIC ACIDA,B,C1USX0.71
SIAO-SIALIC ACIDH1MCO0.71
SIAO-SIALIC ACIDA,B,C,D1W200.71
SIAO-SIALIC ACIDA,B,C,D1G1R0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.71
SIAO-SIALIC ACIDA1FV20.71
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.71
SIAO-SIALIC ACIDA,B,C1QFO0.71
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.71
SIAO-SIALIC ACIDB1URL0.71
SIAO-SIALIC ACIDA,B2RFT0.71
SIAO-SIALIC ACIDB,C,I1PTO0.71
SIAO-SIALIC ACIDA2HRL0.71
SIAO-SIALIC ACIDA2R610.71
SIAO-SIALIC ACIDA2ZG30.71
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.71
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.71
SIAO-SIALIC ACIDA,B,C,D1W1X0.71
SIAO-SIALIC ACIDA,B,C,D1WW40.71
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.71
SIAO-SIALIC ACIDA2V730.71
SIAO-SIALIC ACIDA,B1JSH0.71
SIAO-SIALIC ACIDA,B,C,D1W210.71
SIAO-SIALIC ACIDA,B1JSN0.71
SIAO-SIALIC ACIDA,B,C,D1OW00.71
SIAO-SIALIC ACIDA2OSX0.71
SIAO-SIALIC ACIDA,B,C,D1G1S0.71
SIAO-SIALIC ACIDA2C4L0.71
SIAO-SIALIC ACIDA2Z8L0.71
SIAO-SIALIC ACIDA2JHD0.71
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.71
SIAO-SIALIC ACIDA1G1T0.71
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.71
SIAO-SIALIC ACID1,2,32KMB0.71
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.71
SIAO-SIALIC ACIDA,B1NSC0.71
SIAO-SIALIC ACIDA,B,C2W680.71
SIAO-SIALIC ACIDA1SE30.71
SIAO-SIALIC ACIDA,B,C1UXA0.71
SIAO-SIALIC ACIDA2QWB0.71
SIAO-SIALIC ACIDA2VU90.71
SIAO-SIALIC ACIDH,J,L1RVT0.71
SIAO-SIALIC ACIDA,B1FV30.71
SIAO-SIALIC ACIDA,B2C250.71
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.71
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.71
SIAO-SIALIC ACIDA,B2WBW0.71
SIAO-SIALIC ACIDA,B1USR0.71
SIAO-SIALIC ACIDA,B,E1KJ20.71
SIAO-SIALIC ACIDA,B,C2HRR0.71
SIAO-SIALIC ACIDA1QDD0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.71
SIAO-SIALIC ACIDA,B,C,D1ZAG0.71
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.71
SIAO-SIALIC ACIDB1H7T0.71
SIAO-SIALIC ACIDA,B2DS00.71
SIAO-SIALIC ACIDA2ZG10.71
SIAO-SIALIC ACIDA,B,C2DR00.71
SIAO-SIALIC ACIDA,B,C1UXB0.71
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.71
SIAO-SIALIC ACIDA,B2RFU0.71
SIAO-SIALIC ACIDA1W0O0.71
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.71
SIAO-SIALIC ACIDA,B,C1YA40.71
SIAO-SIALIC ACIDA,B,D2CWG0.71
SIAO-SIALIC ACIDA,B,C2DQZ0.71
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.71
SIAO-SIALIC ACIDA,B,C1YA80.71
SIAO-SIALIC ACIDA2C4A0.71
SIAO-SIALIC ACIDF,G,H1CT10.71
SIAO-SIALIC ACIDA1YYN0.71
SIAO-SIALIC ACIDA,B1JSO0.71
SIAO-SIALIC ACIDA,B1WGC0.71
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.71
SIAO-SIALIC ACIDA2BF60.71
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.71
SIAO-SIALIC ACIDA2DF30.71
SIAO-SIALIC ACIDA2BAT0.71
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.71
SIAO-SIALIC ACIDA,B1JSI0.71
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.71
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B3HY70.7
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B2JIH0.7
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A1R550.7
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.73
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.73
CHK6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-
6-DEOXY-D-XYLO-HEXITOL		B1Y010.73
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.71
QGA1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXYETHYL)AMINO]-
1-DEOXY-D-ALLITOL		A,B2JGQ0.72
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.74
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.75
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,C3DV10.73
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1FS40.72
CRA1-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCO-2-HEPTULOPYRANOSONAMIDE		A1B4D0.72
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.71
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		A3EMY0.7
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		A2H6T0.7
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,B1LS50.7
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,B1SME0.7
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,C1W6I0.7
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,B1XDH0.7
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,B2QZX0.7
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		A1IZE0.7
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,B1M430.7
ECQ(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-
2-ONE		A,I2Z3D0.72
8GPA2F3U0.72
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.75
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.75
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,D3DCQ0.72
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.72
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.72
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.7
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.7
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.7