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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03926960

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4R8(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-
6,10,13,16,19-pentaenoic acid
A2VV30.8
ELA9-OCTADECENOIC ACIDA1HMR0.94
EICLINOLEIC ACIDA2Q9S0.94
EICLINOLEIC ACIDA2EVL0.94
EICLINOLEIC ACIDA1IGZ0.94
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B3DSJ0.78
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2RCH0.78
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2VST0.78
HXADOCOSA-4,7,10,13,16,19-HEXAENOIC ACIDA1MV90.74
HXADOCOSA-4,7,10,13,16,19-HEXAENOIC ACIDA,B1FDQ0.74
HXADOCOSA-4,7,10,13,16,19-HEXAENOIC ACIDA2BYO0.74
HXADOCOSA-4,7,10,13,16,19-HEXAENOIC ACIDA,B2G7Z0.74
F22(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-
4,7,10,13,16,19-hexaenoic acid
A,B2VV00.74
F23TRICOSANOIC ACIDA,B1LLF0.7
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid
A,B2VSR0.78
DCRicosanoic acidA,B,C,D3EUT0.7
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.75
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.78
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid
A,B2VV40.74
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A3DBM0.78
ACDARACHIDONIC ACIDA1DIY0.82
ACDARACHIDONIC ACIDA1VYG0.82
ACDARACHIDONIC ACIDA1U670.82
ACDARACHIDONIC ACIDA1GNJ0.82
ACDARACHIDONIC ACIDA1ADL0.82
ACDARACHIDONIC ACIDA,B1CVU0.82
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.9
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID
A1IK30.71
9OD(2Z)-9-oxodec-2-enoic acidA3BFA0.72
9OD(2Z)-9-oxodec-2-enoic acidA,B3CZ00.72
9OD(2Z)-9-oxodec-2-enoic acidA,B3CYZ0.72
9OD(2Z)-9-oxodec-2-enoic acidA3BFB0.72
EPA5,8,11,14,17-EICOSAPENTAENOIC ACIDA1IGX0.78
EPA5,8,11,14,17-EICOSAPENTAENOIC ACIDA,B3GWX0.78
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.78
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid
A3DZT0.74