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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00029481

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
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.73
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.73
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2SLI0.72
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A2JKB0.72
SKD2-ACETYLAMINO-7-(1,2-DIHYDROXY-
ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-
5-CARBOXYLIC ACID		A3SLI0.72
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.74
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,C1YM40.75
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		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
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.74
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.7
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.74
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.7
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
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		A2ZNT0.78
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,D3GBA0.78
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.73
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
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
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
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.75
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.75
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.74
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.78
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.75
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.74
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
MLDGLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-
L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA		A,X2F2L0.74
MLDGLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-
L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA		A,B,C,D2CB30.74
NDZ(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-
2-carboxyethyl]-6,7-dihydroxyhexahydro-
2H-furo[3,2-b]pyran-2-carboxylic acid		A2ZNU0.72
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA2REW0.75
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1IMX0.75
CPQN,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDEA1I7G0.75
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.73
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1S0I0.7
SLT5-(ACETYLAMINO)-3,5-DIDEOXYNON-
2-ULOPYRANONOSYL-(2->3)-BETA-D-
LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE		A1Z4X0.7