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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02392821

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL		A1XUZ0.72
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.72
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.78
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
QGA1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXYETHYL)AMINO]-
1-DEOXY-D-ALLITOL		A,B2JGQ0.71
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.72
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID		A1XOG0.71
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A2BWM0.72
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A1O9V0.72
MG8N-OCTANOYL-N-METHYLGLUCAMINEA,B1SMH0.78
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q610.78
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1Q8U0.78
MG8N-OCTANOYL-N-METHYLGLUCAMINEA1SVE0.78
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR90.77
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B,C,D,E,F1O7A0.77
GDL2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-
LACTONE		A,B1UR80.77
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.76
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.7
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.7
NAU4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACIDA,C1F7B0.77
HG91-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOLA,B,C,D1SO20.76
NAY6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
2-OXONONANOIC ACID		A,C1F740.76
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.73
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.71
NA1METHYL N-ACETYL ALLOSAMINEA1HKJ0.7
NA1METHYL N-ACETYL ALLOSAMINEA,B3FY10.7
NA1METHYL N-ACETYL ALLOSAMINEA1HKI0.7
GLGALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDEA1GG80.71
MGS1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-
BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-
MANNOPYRANOSIDE		H1F4X0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.71
DL62-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-
TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-
2H-PYRAN-2-YL)ACETAMIDE		A2FFR0.71
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A,B1UZ10.79
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A2V380.79
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A,B2VJX0.79
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE		A1UZ40.79
HQ6N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-
7-(hydroxymethyl)azepan-4-yl]acetamide		A,B2W660.71
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.75
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.72
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.73
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.7
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
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1P4H0.73
CR61-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-
2-HEPTULOPYRANOSONAMIDE		A1FU80.73
NTFN-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINEA1WW30.73
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
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
F34N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-
3-yl]acetamide		A,B2W670.71
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2HIL0.71
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A2HI20.71
XIL3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAHYDRO-
PYRAN-2-YLOXY)-PIPERIDIN-2-ONE		A1J010.72
CHK6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-
6-DEOXY-D-XYLO-HEXITOL		B1Y010.72
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
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