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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00457342

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
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.77
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.77
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.77
HMN2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACIDA,B,C,D1F730.87
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.82
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.82
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A1L7G0.71
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A2HTU0.71
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A2F100.71
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A1L7H0.71
BCZ3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-
4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID		A1L7F0.71
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVQ0.72
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.82
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.85
SIAO-SIALIC ACIDA,B1DBN0.82
SIAO-SIALIC ACIDA,B,C2DQY0.82
SIAO-SIALIC ACIDA,B3H720.82
SIAO-SIALIC ACIDA1N1Y0.82
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.82
SIAO-SIALIC ACIDA,B,C1YAH0.82
SIAO-SIALIC ACIDA1MWE0.82
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.82
SIAO-SIALIC ACIDA2JH70.82
SIAO-SIALIC ACIDA1F310.82
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.82
SIAO-SIALIC ACIDA1W0P0.82
SIAO-SIALIC ACIDA,B2EHI0.82
SIAO-SIALIC ACIDA2RDG0.82
SIAO-SIALIC ACIDA,B2WGC0.82
SIAO-SIALIC ACIDA,B,C1USX0.82
SIAO-SIALIC ACIDH1MCO0.82
SIAO-SIALIC ACIDA,B,C,D1W200.82
SIAO-SIALIC ACIDA,B,C,D1G1R0.82
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.82
SIAO-SIALIC ACIDA1FV20.82
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.82
SIAO-SIALIC ACIDA,B,C1QFO0.82
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.82
SIAO-SIALIC ACIDB1URL0.82
SIAO-SIALIC ACIDA,B2RFT0.82
SIAO-SIALIC ACIDB,C,I1PTO0.82
SIAO-SIALIC ACIDA2HRL0.82
SIAO-SIALIC ACIDA2R610.82
SIAO-SIALIC ACIDA2ZG30.82
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.82
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.82
SIAO-SIALIC ACIDA,B,C,D1W1X0.82
SIAO-SIALIC ACIDA,B,C,D1WW40.82
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.82
SIAO-SIALIC ACIDA2V730.82
SIAO-SIALIC ACIDA,B1JSH0.82
SIAO-SIALIC ACIDA,B,C,D1W210.82
SIAO-SIALIC ACIDA,B1JSN0.82
SIAO-SIALIC ACIDA,B,C,D1OW00.82
SIAO-SIALIC ACIDA2OSX0.82
SIAO-SIALIC ACIDA,B,C,D1G1S0.82
SIAO-SIALIC ACIDA2C4L0.82
SIAO-SIALIC ACIDA2Z8L0.82
SIAO-SIALIC ACIDA2JHD0.82
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.82
SIAO-SIALIC ACIDA1G1T0.82
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.82
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.82
SIAO-SIALIC ACID1,2,32KMB0.82
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.82
SIAO-SIALIC ACIDA,B1NSC0.82
SIAO-SIALIC ACIDA,B,C2W680.82
SIAO-SIALIC ACIDA1SE30.82
SIAO-SIALIC ACIDA,B,C1UXA0.82
SIAO-SIALIC ACIDA2QWB0.82
SIAO-SIALIC ACIDA2VU90.82
SIAO-SIALIC ACIDH,J,L1RVT0.82
SIAO-SIALIC ACIDA,B1FV30.82
SIAO-SIALIC ACIDA,B2C250.82
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.82
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.82
SIAO-SIALIC ACIDA,B2WBW0.82
SIAO-SIALIC ACIDA,B1USR0.82
SIAO-SIALIC ACIDA,B,E1KJ20.82
SIAO-SIALIC ACIDA,B,C2HRR0.82
SIAO-SIALIC ACIDA1QDD0.82
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.82
SIAO-SIALIC ACIDA,B,C,D1ZAG0.82
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.82
SIAO-SIALIC ACIDB1H7T0.82
SIAO-SIALIC ACIDA,B2DS00.82
SIAO-SIALIC ACIDA2ZG10.82
SIAO-SIALIC ACIDA,B,C2DR00.82
SIAO-SIALIC ACIDA,B,C1UXB0.82
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.82
SIAO-SIALIC ACIDA,B2RFU0.82
SIAO-SIALIC ACIDA1W0O0.82
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.82
SIAO-SIALIC ACIDA,B,C1YA40.82
SIAO-SIALIC ACIDA,B,D2CWG0.82
SIAO-SIALIC ACIDA,B,C2DQZ0.82
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.82
SIAO-SIALIC ACIDA,B,C1YA80.82
SIAO-SIALIC ACIDA2C4A0.82
SIAO-SIALIC ACIDF,G,H1CT10.82
SIAO-SIALIC ACIDA1YYN0.82
SIAO-SIALIC ACIDA,B1JSO0.82
SIAO-SIALIC ACIDA,B1WGC0.82
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.82
SIAO-SIALIC ACIDA2BF60.82
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.82
SIAO-SIALIC ACIDA2DF30.82
SIAO-SIALIC ACIDA2BAT0.82
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.82
SIAO-SIALIC ACIDA,B1JSI0.82
MS8(2R,3aR,7aR)-2-[(2S)-2-amino-3-
hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-
hexahydrofuro[4,5-b]pyran-2-carboxylic acid		A,B3GBB0.71
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.7
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,C1YM40.72
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		A2ZNT0.77
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
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.7
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.7
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.7
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.7
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.7
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.7
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.7
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.76
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		A1FQ70.73
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I4ER10.73
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID		I3ER30.73
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.8
GNA2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-
NEURAMINIC ACID		A2QWE0.7
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		A,B,I1HIV0.77
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID		I1IVP0.77
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.72
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.81
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.81
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.7
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.8
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1S0I0.74
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1Z4X0.74
CHK6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-
6-DEOXY-D-XYLO-HEXITOL		B1Y010.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.8
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.8
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.8
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.8
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.8
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.8
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.8
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.71
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.71
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.71
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.79
QGA1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXYETHYL)AMINO]-
1-DEOXY-D-ALLITOL		A,B2JGQ0.72
NDZ(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-
2-carboxyethyl]-6,7-dihydroxyhexahydro-
2H-furo[3,2-b]pyran-2-carboxylic acid		A2ZNU0.74
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.79
GSL(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-
D-GALACTOPYRANOSIDURONIC ACID		A2FIK0.71
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.85
ERNA2O430.72
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,D2Z2C0.75
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,C3DV10.72
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWJ0.7
G285-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-
4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID		A2QWG0.7
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.74
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.74
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.74
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2AH20.82
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2FHR0.82
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A2A750.82
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID		A,B2VK70.82