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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01726185

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID
A1IK30.75
EB1SEOCALCITOLA1S0Z0.71
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.73
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID
A1R6W0.72
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID
A1IK30.74
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,B,E1R8Q0.78
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A1RE00.78
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE
A,E1S9D0.78
FUGFUMAGILLINA,B3FMQ0.71
FUGFUMAGILLINA1BOA0.71
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid
A,B2VV40.75
4HD(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-
5,7,10,13,16,19-hexaenoic acid
A,B2VV10.71
803LOVASTATINA,B1CQP0.7
114COMPACTINA,B,C,D1HW80.7
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.78
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B3DSJ0.76
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2RCH0.76
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2VST0.76
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.74
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.77
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.77
1NB2-(2-HYDROXY-CYCLOPENTYL)-PENT-
4-ENAL
P1BRU0.71
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.73
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid
A,B2VSR0.76
E2PPROSTAGLANDIN B2A1CZ20.74
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.84