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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00029473

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2QWH0.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A3CL00.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2QWK0.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A,B,C,D,E,F,
G,H
3CL20.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2HT80.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2HT70.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
B2HU00.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A,B,C,D,E,F,
G,H
2HU40.74
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA1F8C0.73
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA2QWD0.73
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDH,J,L1RV00.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2QWC0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2SIM0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1IVF0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1SLI0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS10.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1USR0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C,D2CEX0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS00.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W8N0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1V3D0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F270.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F290.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W0O0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1MZ60.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1WCQ0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1NSD0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VW10.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1E8V0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F250.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z500.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VK60.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS80.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B3H730.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1EUS0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1F8B0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTW0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1NNB0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4Z0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2VVZ0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1V0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1USX0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4W0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1VCU0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1T0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTR0.72
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4V0.72
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
A1QZY0.74
49A4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-
N-ACETYL-NEURAMINIC ACID
A1F8E0.74
W2XN~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-
3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-
2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-
L-LYSINE
A1W3X0.75
W2XN~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-
3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-
2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-
L-LYSINE
A2VE10.75
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.73
9AM9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-
NEURAMINIC ACID
A1F8D0.72