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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201433

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HNE(2E,4R)-4-HYDROXYNON-2-ENALA,B2J3K0.7
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A3DBM0.88
RCLRICINOLEIC ACIDA2CM40.85
RCLRICINOLEIC ACIDA2CM90.85
RCLRICINOLEIC ACIDA1FK70.85
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.77
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.72
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.82
ACDARACHIDONIC ACIDA1DIY0.73
ACDARACHIDONIC ACIDA1VYG0.73
ACDARACHIDONIC ACIDA1U670.73
ACDARACHIDONIC ACIDA1GNJ0.73
ACDARACHIDONIC ACIDA1ADL0.73
ACDARACHIDONIC ACIDA,B1CVU0.73
PAMPALMITOLEIC ACIDA,B,C,D1SMJ0.85
PAMPALMITOLEIC ACIDA,B,C1IZO0.85
PAMPALMITOLEIC ACIDA,B,C,D1FAG0.85
PAMPALMITOLEIC ACIDA1FK30.85
PAMPALMITOLEIC ACIDA,B3EKD0.85
PAMPALMITOLEIC ACIDA2UUH0.85
PAMPALMITOLEIC ACIDA,B1YH80.85
PAMPALMITOLEIC ACIDA,B1YHC0.85
PAMPALMITOLEIC ACIDA1UVB0.85
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.78
LIK3,6-BIS(METHYLENE)DECANOIC ACIDA2HLV0.74
ODT(11E,13E,15Z)-OCTADECA-11,13,15-
TRIENOIC ACID		A2BAC0.82
9OD(2Z)-9-oxodec-2-enoic acidA3BFA0.76
9OD(2Z)-9-oxodec-2-enoic acidA,B3CZ00.76
9OD(2Z)-9-oxodec-2-enoic acidA,B3CYZ0.76
9OD(2Z)-9-oxodec-2-enoic acidA3BFB0.76
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.84
LNLALPHA-LINOLENIC ACIDA2BYO0.85
LNLALPHA-LINOLENIC ACIDA1FK60.85
VCAVACCENIC ACIDA,B2BAW0.84
VCAVACCENIC ACIDA,B2B500.84
VCAVACCENIC ACIDB2ACO0.84
VCAVACCENIC ACIDA,B2AWH0.84
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B3DSJ0.88
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2RCH0.88
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2VST0.88
PG2PROSTAGLANDIN D2A,B1RY00.73
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID		A1IK30.8
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid		A,B2VV40.87
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B2RCL0.78
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B3DSK0.78
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid		A,B2VSR0.88
4HD(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-
5,7,10,13,16,19-hexaenoic acid		A,B2VV10.74
EPA5,8,11,14,17-EICOSAPENTAENOIC ACIDA1IGX0.73
EPA5,8,11,14,17-EICOSAPENTAENOIC ACIDA,B3GWX0.73
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.82
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid		A,B3DSI0.88
EICLINOLEIC ACIDA2Q9S0.84
EICLINOLEIC ACIDA2EVL0.84
EICLINOLEIC ACIDA1IGZ0.84
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.84
ODD(10E,12Z)-OCTADECA-10,12-DIENOIC ACIDA2BAB0.81
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid		A3DZT0.75
ELA9-OCTADECENOIC ACIDA1HMR0.84
5HE(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-
6,8,11,14,17-pentaenoic acid		A,B2VV20.78
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.74
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid		A,B2VV40.88
OLAOLEIC ACIDA1VYF0.84
OLAOLEIC ACIDA2EV40.84
OLAOLEIC ACIDA1FK50.84
OLAOLEIC ACIDA1FE30.84
OLAOLEIC ACIDA,B2AG40.84
OLAOLEIC ACIDA,B1J780.84
OLAOLEIC ACIDA2E9L0.84
OLAOLEIC ACIDA,B2EV10.84
OLAOLEIC ACIDA1GNI0.84
OLAOLEIC ACIDA1SX60.84
OLAOLEIC ACIDA2E9M0.84
OLAOLEIC ACIDA2FLJ0.84
OLAOLEIC ACIDA2ZOX0.84
OLAOLEIC ACIDA2AF90.84
OLAOLEIC ACIDA,B,C2AG20.84
OLAOLEIC ACIDA2JU80.84
OLAOLEIC ACIDA,B1GT60.84
OLAOLEIC ACIDA,B,C1PMP0.84
OLAOLEIC ACIDA,B1DKF0.84
OLAOLEIC ACIDA1ICN0.84
OLAOLEIC ACIDA1G740.84
OLAOLEIC ACIDA,B1J7E0.84
OLAOLEIC ACIDA1LFO0.84
OLAOLEIC ACIDA1HMS0.84
OLAOLEIC ACIDA2EV30.84
OLAOLEIC ACIDA2EV20.84
OLAOLEIC ACIDA2FTB0.84
OLAOLEIC ACIDA1LID0.84
4R8(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-
6,10,13,16,19-pentaenoic acid		A2VV30.72
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.81
E2PPROSTAGLANDIN B2A1CZ20.75