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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399946

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MRCMUPIROCINA1JZS0.71
MRCMUPIROCINA,T1FFY0.71
MRCMUPIROCINA1QU30.71
MRCMUPIROCINA,T1QU20.71
RCLRICINOLEIC ACIDA2CM40.75
RCLRICINOLEIC ACIDA2CM90.75
RCLRICINOLEIC ACIDA1FK70.75
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid
A,B2VSR0.74
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid
A,B2VV40.75
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate
A3D4S0.74
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.72
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid
A,B3DSI0.74
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid
A,B2RCL0.82
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid
A,B3DSK0.82
9OD(2Z)-9-oxodec-2-enoic acidA3BFA0.71
9OD(2Z)-9-oxodec-2-enoic acidA,B3CZ00.71
9OD(2Z)-9-oxodec-2-enoic acidA,B3CYZ0.71
9OD(2Z)-9-oxodec-2-enoic acidA3BFB0.71
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.76
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B3DSJ0.74
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2RCH0.74
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2VST0.74
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID
A1IK30.8
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.73
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.76
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID
A1IK30.87
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.79
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A3DBM0.74
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.73