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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03831746

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A3DBM0.81
MRCMUPIROCINA1JZS0.71
MRCMUPIROCINA,T1FFY0.71
MRCMUPIROCINA1QU30.71
MRCMUPIROCINA,T1QU20.71
0MAmaslinic acidA2QN20.7
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.71
OLAOLEIC ACIDA1VYF0.71
OLAOLEIC ACIDA2EV40.71
OLAOLEIC ACIDA1FK50.71
OLAOLEIC ACIDA1FE30.71
OLAOLEIC ACIDA,B2AG40.71
OLAOLEIC ACIDA,B1J780.71
OLAOLEIC ACIDA2E9L0.71
OLAOLEIC ACIDA,B2EV10.71
OLAOLEIC ACIDA1GNI0.71
OLAOLEIC ACIDA1SX60.71
OLAOLEIC ACIDA2E9M0.71
OLAOLEIC ACIDA2FLJ0.71
OLAOLEIC ACIDA2ZOX0.71
OLAOLEIC ACIDA2AF90.71
OLAOLEIC ACIDA,B,C2AG20.71
OLAOLEIC ACIDA2JU80.71
OLAOLEIC ACIDA,B1GT60.71
OLAOLEIC ACIDA,B,C1PMP0.71
OLAOLEIC ACIDA,B1DKF0.71
OLAOLEIC ACIDA1ICN0.71
OLAOLEIC ACIDA1G740.71
OLAOLEIC ACIDA,B1J7E0.71
OLAOLEIC ACIDA1LFO0.71
OLAOLEIC ACIDA1HMS0.71
OLAOLEIC ACIDA2EV30.71
OLAOLEIC ACIDA2EV20.71
OLAOLEIC ACIDA2FTB0.71
OLAOLEIC ACIDA1LID0.71
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.74
FUAFUSIDIC ACIDA1QCA0.72
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.72
FUAFUSIDIC ACIDA,B2VUF0.72
MEI(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-
2,4-DIENOIC ACID
A,B1UHL0.71
LNLALPHA-LINOLENIC ACIDA2BYO0.7
LNLALPHA-LINOLENIC ACIDA1FK60.7
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid
A,B3DSI0.78
ELA9-OCTADECENOIC ACIDA1HMR0.71
E2PPROSTAGLANDIN B2A1CZ20.76
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.71
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
EICLINOLEIC ACIDA2Q9S0.71
EICLINOLEIC ACIDA2EVL0.71
EICLINOLEIC ACIDA1IGZ0.71
PAMPALMITOLEIC ACIDA,B,C,D1SMJ0.7
PAMPALMITOLEIC ACIDA,B,C1IZO0.7
PAMPALMITOLEIC ACIDA,B,C,D1FAG0.7
PAMPALMITOLEIC ACIDA1FK30.7
PAMPALMITOLEIC ACIDA,B3EKD0.7
PAMPALMITOLEIC ACIDA2UUH0.7
PAMPALMITOLEIC ACIDA,B1YH80.7
PAMPALMITOLEIC ACIDA,B1YHC0.7
PAMPALMITOLEIC ACIDA1UVB0.7
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.78
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.79
PGX7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-
2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-
YL]-HEPT-5-ENOIC ACID
A,B,C,D1DDX0.81
SIMSIMVASTATINA,B,C,D1HW90.7
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.71
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.82
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.82
LVA(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-
DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-
1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
A,B1T020.72
GMMGLUCOSE MONOMYCOLATEA1UQS0.71
114COMPACTINA,B,C,D1HW80.72
RCLRICINOLEIC ACIDA2CM40.77
RCLRICINOLEIC ACIDA2CM90.77
RCLRICINOLEIC ACIDA1FK70.77
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID
A1R6W0.74
1NB2-(2-HYDROXY-CYCLOPENTYL)-PENT-
4-ENAL
P1BRU0.75
803LOVASTATINA,B1CQP0.72
NTHSUCCINIC ACID MONO-(13-METHYL-3-
OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
17-YL) ESTER
A,B1BUQ0.7
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID
A1IK30.77
VCAVACCENIC ACIDA,B2BAW0.71
VCAVACCENIC ACIDA,B2B500.71
VCAVACCENIC ACIDB2ACO0.71
VCAVACCENIC ACIDA,B2AWH0.71
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.71
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid
A3DZT0.7
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B3DSJ0.81
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2RCH0.81
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2VST0.81
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.72
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.83
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid
A,B2VSR0.81
2OBCHOLESTERYL OLEATEA2OBD0.7
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate
A3D4S0.76
PG2PROSTAGLANDIN D2A,B1RY00.92
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.92
CLLCHOLESTERYL LINOLEATEA,B1CLE0.7
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid
A,B2RCL0.74
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid
A,B3DSK0.74
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.78
MVB(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-
7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-
4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-
1-NAPHTHALENOL
A,B,C1YA80.71
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID
A1IK30.79
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.72
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid
A,B2VV40.82