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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03427858

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A2GJP0.72
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G9H0.72
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1BG90.72
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1PPI0.72
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RP90.72
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G940.72
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RPK0.72
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.74
ZMRZANAMIVIRA2F0Z0.88
ZMRZANAMIVIRA1NNC0.88
ZMRZANAMIVIRA,B3B7E0.88
ZMRZANAMIVIRA,B1V3E0.88
ZMRZANAMIVIRA,B1A4G0.88
ZMRZANAMIVIRA3CKZ0.88
ZMRZANAMIVIRA2HTQ0.88
ZMRZANAMIVIRA,B,C,D2CML0.88
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
9AM9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-
NEURAMINIC ACID		A1F8D0.94
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1W9X0.71
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1B2Y0.71
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1HX00.71
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1OSE0.71
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.72
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.74
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.74
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.74
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.74
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.74
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.74
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.74
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.73
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.73
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.7
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.71
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.7
H1SHEPARIN DISACCHARIDE I-SA,B1U4L0.74
H1SHEPARIN DISACCHARIDE I-SA2NWG0.74
H1SHEPARIN DISACCHARIDE I-SA,B2FUT0.74
49A4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-
N-ACETYL-NEURAMINIC ACID		A1F8E0.9
BEUN-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-
4-(HYDROXYMETHYL)CYCLOHEX-3-EN-
1-YL]ACETAMIDE		A,B2JIW0.74
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.71
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA1F8C0.93
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA2QWD0.93
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.71
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.71
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2QWH0.72
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A3CL00.72
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2QWK0.72
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H		3CL20.72
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2HT80.72
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2HT70.72
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		B2HU00.72
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H		2HU40.72
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,D2Z2C0.7
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.73
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDH,J,L1RV01
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2QWC1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2SIM1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1IVF1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1SLI1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS11
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1USR1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C,D2CEX1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS01
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W8N1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1V3D1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F271
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F291
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W0O1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1MZ61
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1WCQ1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1NSD1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VW11
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1E8V1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F251
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z501
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VK61
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS81
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B3H731
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1EUS1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1F8B1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTW1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1NNB1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4Z1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2VVZ1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1V1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1USX1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4W1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1VCU1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1T1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTR1
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4V1
HTM6-(3-HYDROXYPROPOXY)-5-ACETAMIDO-
5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-
2-CARBOXYLIC ACID		A2F120.79
IEM5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-
6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID		A2F110.77
SFTSULFOGALACTOCERAMIDEA,B2BHI0.7
AF14,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-
trihydroxy-3-(hydroxymethyl)cyclohex-
2-en-1-yl]amino}-beta-D-glucopyranose		A1BG90.71
DYM6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-
5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-
2-CARBOXYLIC ACID		A2F130.8
HS22-deoxy-4-O-(4-deoxy-alpha-L-threo-
hex-4-enopyranuronosyl)-2-{[(1R)-
1-hydroxyethyl]amino}-alpha-D-glucopyranose		A,B,C3E800.86
UCD(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-
3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-
TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-
DIHYDROXY-5,6-DIHYDRO-4H-PYRAN-
2-CARBOXYLIC ACID		A,B2AHG0.91
UCD(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-
3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-
TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-
DIHYDROXY-5,6-DIHYDRO-4H-PYRAN-
2-CARBOXYLIC ACID		A2D8L0.91
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.71
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
H3SHEPARIN DISACCHARIDE III-SA,B1U4M0.75
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