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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03811009

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.7
803LOVASTATINA,B1CQP0.73
ODD(10E,12Z)-OCTADECA-10,12-DIENOIC ACIDA2BAB0.73
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,B1T020.73
LUX(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-
DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-
OCTADECAHYDRO-BETA,BETA-CAROTENE-
3,3'-DIOL		A,B,C2BHW0.71
114COMPACTINA,B,C,D1HW80.73
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.82
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A2ZB40.76
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A,B1V3V0.76
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B2RCL0.71
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B3DSK0.71
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.79
AXTASTAXANTHINA,B1GKA0.71
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.74
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.73
CDZ3,5-dihydroxy-4,6,6-tris(3-methylbut-
2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-
2,4-dien-1-one		A2QNV0.73
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B3DSJ0.85
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2RCH0.85
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2VST0.85
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,C1YA80.72
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.73
OXR4-OXORETINOLA,B1X8L0.73
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid		A,B2VSR0.85
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE		A,B2HFK0.76
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE		A,B1M980.72
5HE(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-
6,8,11,14,17-pentaenoic acid		A,B2VV20.73
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.91
SRNSORANGICIN AC,D1YNJ0.7
MRCMUPIROCINA1JZS0.7
MRCMUPIROCINA,T1FFY0.7
MRCMUPIROCINA1QU30.7
MRCMUPIROCINA,T1QU20.7
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid		A,B2VV40.82
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.7
OLAOLEIC ACIDA1VYF0.7
OLAOLEIC ACIDA2EV40.7
OLAOLEIC ACIDA1FK50.7
OLAOLEIC ACIDA1FE30.7
OLAOLEIC ACIDA,B2AG40.7
OLAOLEIC ACIDA,B1J780.7
OLAOLEIC ACIDA2E9L0.7
OLAOLEIC ACIDA,B2EV10.7
OLAOLEIC ACIDA1GNI0.7
OLAOLEIC ACIDA1SX60.7
OLAOLEIC ACIDA2E9M0.7
OLAOLEIC ACIDA2FLJ0.7
OLAOLEIC ACIDA2ZOX0.7
OLAOLEIC ACIDA2AF90.7
OLAOLEIC ACIDA,B,C2AG20.7
OLAOLEIC ACIDA2JU80.7
OLAOLEIC ACIDA,B1GT60.7
OLAOLEIC ACIDA,B,C1PMP0.7
OLAOLEIC ACIDA,B1DKF0.7
OLAOLEIC ACIDA1ICN0.7
OLAOLEIC ACIDA1G740.7
OLAOLEIC ACIDA,B1J7E0.7
OLAOLEIC ACIDA1LFO0.7
OLAOLEIC ACIDA1HMS0.7
OLAOLEIC ACIDA2EV30.7
OLAOLEIC ACIDA2EV20.7
OLAOLEIC ACIDA2FTB0.7
OLAOLEIC ACIDA1LID0.7
PTG(5E,14E)-11-oxoprosta-5,9,12,14-
tetraen-1-oic acid		A,B2ZK10.74
PTG(5E,14E)-11-oxoprosta-5,9,12,14-
tetraen-1-oic acid		A2ZK20.74
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid		A,B2VV40.81
ODT(11E,13E,15Z)-OCTADECA-11,13,15-
TRIENOIC ACID		A2BAC0.72
4HD(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-
5,7,10,13,16,19-hexaenoic acid		A,B2VV10.73
PGX7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-
2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-
YL]-HEPT-5-ENOIC ACID		A,B,C,D1DDX0.75
ELA9-OCTADECENOIC ACIDA1HMR0.7
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID		A1R6W0.79
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.7
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.82
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A,B,E1R8Q0.71
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A1RE00.71
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A,E1S9D0.71
EICLINOLEIC ACIDA2Q9S0.7
EICLINOLEIC ACIDA2EVL0.7
EICLINOLEIC ACIDA1IGZ0.7
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A3DBM0.85
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID		A1IK30.76
SIMSIMVASTATINA,B,C,D1HW90.71
MEI(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-
2,4-DIENOIC ACID		A,B1UHL0.75
PG2PROSTAGLANDIN D2A,B1RY00.86
RCLRICINOLEIC ACIDA2CM40.76
RCLRICINOLEIC ACIDA2CM90.76
RCLRICINOLEIC ACIDA1FK70.76
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid		A,B3DSI0.82
RGCREIDISPONGIOLIDE CA2ASP0.71
SXNSalinixanthinA,B3DDL0.7
LUT(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-
BETA,BETA-CAROTENE-3,3'-DIOL		A,B,C,D,E,F,
G,H,I,J		1RWT0.7
E2PPROSTAGLANDIN B2A1CZ20.85
3ON(3R)-3-HYDROXY-8'-APOCAROTENOLA,B,C,D2BIW0.71
VCAVACCENIC ACIDA,B2BAW0.7
VCAVACCENIC ACIDA,B2B500.7
VCAVACCENIC ACIDB2ACO0.7
VCAVACCENIC ACIDA,B2AWH0.7
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid		A3DZT0.74