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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03171204

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OCX(5E,11E,14E)-8-oxoicosa-5,9,11,14-
tetraenoic acid
A,B2ZK30.7
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.73
ELA9-OCTADECENOIC ACIDA1HMR0.79
EICLINOLEIC ACIDA2Q9S0.79
EICLINOLEIC ACIDA2EVL0.79
EICLINOLEIC ACIDA1IGZ0.79
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.79
OLAOLEIC ACIDA1VYF0.79
OLAOLEIC ACIDA2EV40.79
OLAOLEIC ACIDA1FK50.79
OLAOLEIC ACIDA1FE30.79
OLAOLEIC ACIDA,B2AG40.79
OLAOLEIC ACIDA,B1J780.79
OLAOLEIC ACIDA2E9L0.79
OLAOLEIC ACIDA,B2EV10.79
OLAOLEIC ACIDA1GNI0.79
OLAOLEIC ACIDA1SX60.79
OLAOLEIC ACIDA2E9M0.79
OLAOLEIC ACIDA2FLJ0.79
OLAOLEIC ACIDA2ZOX0.79
OLAOLEIC ACIDA2AF90.79
OLAOLEIC ACIDA,B,C2AG20.79
OLAOLEIC ACIDA2JU80.79
OLAOLEIC ACIDA,B1GT60.79
OLAOLEIC ACIDA,B,C1PMP0.79
OLAOLEIC ACIDA,B1DKF0.79
OLAOLEIC ACIDA1ICN0.79
OLAOLEIC ACIDA1G740.79
OLAOLEIC ACIDA,B1J7E0.79
OLAOLEIC ACIDA1LFO0.79
OLAOLEIC ACIDA1HMS0.79
OLAOLEIC ACIDA2EV30.79
OLAOLEIC ACIDA2EV20.79
OLAOLEIC ACIDA2FTB0.79
OLAOLEIC ACIDA1LID0.79
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.75
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2IYR0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A3BAF0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A3DOO0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1U8A0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1ZUI0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2EV90.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B,C,D2HK90.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2D5C0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYQ0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2AA90.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1ZYU0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2GPT0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2G1K0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2AAY0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYX0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2DFN0.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYS0.71
OCR(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-
tetraenoic acid
A,B2ZK40.74
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.77
VCAVACCENIC ACIDA,B2BAW0.79
VCAVACCENIC ACIDA,B2B500.79
VCAVACCENIC ACIDB2ACO0.79
VCAVACCENIC ACIDA,B2AWH0.79
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B3DSJ0.75
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2RCH0.75
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2VST0.75
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid
A,B3DSI0.75
RCLRICINOLEIC ACIDA2CM40.72
RCLRICINOLEIC ACIDA2CM90.72
RCLRICINOLEIC ACIDA1FK70.72
ODD(10E,12Z)-OCTADECA-10,12-DIENOIC ACIDA2BAB0.77
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid
A,B2VSR0.75
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid
A,B2VV40.74
9OD(2Z)-9-oxodec-2-enoic acidA3BFA0.81
9OD(2Z)-9-oxodec-2-enoic acidA,B3CZ00.81
9OD(2Z)-9-oxodec-2-enoic acidA,B3CYZ0.81
9OD(2Z)-9-oxodec-2-enoic acidA3BFB0.81
LIK3,6-BIS(METHYLENE)DECANOIC ACIDA2HLV0.79
GBCGABACULINEA,B,C1GBN0.73
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.79
ODT(11E,13E,15Z)-OCTADECA-11,13,15-
TRIENOIC ACID
A2BAC0.78
LNLALPHA-LINOLENIC ACIDA2BYO0.81
LNLALPHA-LINOLENIC ACIDA1FK60.81
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.73
E2PPROSTAGLANDIN B2A1CZ20.74
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.75
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A3DBM0.75
PAMPALMITOLEIC ACIDA,B,C,D1SMJ0.81
PAMPALMITOLEIC ACIDA,B,C1IZO0.81
PAMPALMITOLEIC ACIDA,B,C,D1FAG0.81
PAMPALMITOLEIC ACIDA1FK30.81
PAMPALMITOLEIC ACIDA,B3EKD0.81
PAMPALMITOLEIC ACIDA2UUH0.81
PAMPALMITOLEIC ACIDA,B1YH80.81
PAMPALMITOLEIC ACIDA,B1YHC0.81
PAMPALMITOLEIC ACIDA1UVB0.81
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid
A2RDS0.73
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid
A2RDN0.73
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.73