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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03131127

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
H1SHEPARIN DISACCHARIDE I-SA,B1U4L0.73
H1SHEPARIN DISACCHARIDE I-SA2NWG0.73
H1SHEPARIN DISACCHARIDE I-SA,B2FUT0.73
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,B2AHG0.83
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
A2D8L0.83
DYM6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-
5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-
2-CARBOXYLIC ACID
A2F130.75
HS22-deoxy-4-O-(4-deoxy-alpha-L-threo-
hex-4-enopyranuronosyl)-2-{[(1R)-
1-hydroxyethyl]amino}-alpha-D-glucopyranose
A,B,C3E800.79
HTM6-(3-HYDROXYPROPOXY)-5-ACETAMIDO-
5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-
2-CARBOXYLIC ACID
A2F120.74
SFTSULFOGALACTOCERAMIDEA,B2BHI0.72
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA1F8C0.76
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA2QWD0.76
SLFSULFATE-3-D-GALACTOSYL-BETA-1-1-
N-STEAROYL-D-SPHINGOSINE
B,D3BRR0.71
SLFSULFATE-3-D-GALACTOSYL-BETA-1-1-
N-STEAROYL-D-SPHINGOSINE
A,C1ONQ0.71
49A4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-
N-ACETYL-NEURAMINIC ACID
A1F8E0.75
CIS(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-
{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-
3-ENYL)TETRACOS-15-ENAMIDE
A,C2AKR0.71
ZMRZANAMIVIRA2F0Z0.72
ZMRZANAMIVIRA1NNC0.72
ZMRZANAMIVIRA,B3B7E0.72
ZMRZANAMIVIRA,B1V3E0.72
ZMRZANAMIVIRA,B1A4G0.72
ZMRZANAMIVIRA3CKZ0.72
ZMRZANAMIVIRA2HTQ0.72
ZMRZANAMIVIRA,B,C,D2CML0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDH,J,L1RV00.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2QWC0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2SIM0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1IVF0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1SLI0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS10.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1USR0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C,D2CEX0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS00.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W8N0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1V3D0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F270.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F290.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W0O0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1MZ60.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1WCQ0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1NSD0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VW10.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1E8V0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F250.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z500.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VK60.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS80.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B3H730.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1EUS0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1F8B0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTW0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1NNB0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4Z0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2VVZ0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1V0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1USX0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4W0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1VCU0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1T0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTR0.78
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4V0.78
TDE(E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-
2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-
6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE
A1QZY0.72
H3SHEPARIN DISACCHARIDE III-SA,B1U4M0.74
9AM9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-
NEURAMINIC ACID
A1F8D0.75
IEM5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-
6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID
A2F110.73