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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03840187

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AF14,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-
trihydroxy-3-(hydroxymethyl)cyclohex-
2-en-1-yl]amino}-beta-D-glucopyranose		A1BG90.72
ZMRZANAMIVIRA2F0Z0.87
ZMRZANAMIVIRA1NNC0.87
ZMRZANAMIVIRA,B3B7E0.87
ZMRZANAMIVIRA,B1V3E0.87
ZMRZANAMIVIRA,B1A4G0.87
ZMRZANAMIVIRA3CKZ0.87
ZMRZANAMIVIRA2HTQ0.87
ZMRZANAMIVIRA,B,C,D2CML0.87
BEUN-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-
4-(HYDROXYMETHYL)CYCLOHEX-3-EN-
1-YL]ACETAMIDE		A,B2JIW0.77
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,B2AHG0.9
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		A2D8L0.9
DYM6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-
5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-
2-CARBOXYLIC ACID		A2F130.77
H1SHEPARIN DISACCHARIDE I-SA,B1U4L0.74
H1SHEPARIN DISACCHARIDE I-SA2NWG0.74
H1SHEPARIN DISACCHARIDE I-SA,B2FUT0.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2QWH0.7
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A3CL00.7
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2QWK0.7
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H		3CL20.7
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2HT80.7
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A2HT70.7
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		B2HU00.7
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H		2HU40.7
VDM(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-
6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-
4-ENE-1,2,3-TRIOL		A2JF40.7
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.72
OEV(1S,2S,3R,6R)-4-(hydroxymethyl)-
6-(octylamino)cyclohex-4-ene-1,2,3-
triol		A3D500.71
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A2GJP0.73
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G9H0.73
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1BG90.73
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1PPI0.73
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RP90.73
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G940.73
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RPK0.73
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.72
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.72
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.72
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.72
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.72
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA1F8C0.92
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA2QWD0.92
HS22-deoxy-4-O-(4-deoxy-alpha-L-threo-
hex-4-enopyranuronosyl)-2-{[(1R)-
1-hydroxyethyl]amino}-alpha-D-glucopyranose		A,B,C3E800.85
HTM6-(3-HYDROXYPROPOXY)-5-ACETAMIDO-
5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-
2-CARBOXYLIC ACID		A2F120.76
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.73
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1W9X0.72
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1B2Y0.72
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1HX00.72
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1OSE0.72
9AM9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-
NEURAMINIC ACID		A1F8D0.91
49A4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-
N-ACETYL-NEURAMINIC ACID		A1F8E0.89
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDH,J,L1RV00.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2QWC0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2SIM0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1IVF0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1SLI0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS10.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1USR0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C,D2CEX0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS00.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W8N0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1V3D0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F270.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F290.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W0O0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1MZ60.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1WCQ0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1NSD0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VW10.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1E8V0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F250.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z500.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VK60.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS80.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B3H730.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1EUS0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1F8B0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTW0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1NNB0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4Z0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2VVZ0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1V0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1USX0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4W0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1VCU0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1T0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTR0.97
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4V0.97
IEM5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-
6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID		A2F110.75
H3SHEPARIN DISACCHARIDE III-SA,B1U4M0.75
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.71
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.71