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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02429427

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
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A2ZB40.81
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A,B1V3V0.81
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid		A,B3DSI0.77
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
AXTASTAXANTHINA,B1GKA0.71
TESTESTOSTERONEA1JTV0.7
TESTESTOSTERONEA2Q7L0.7
TESTESTOSTERONEA2Q7I0.7
TESTESTOSTERONEA,B1J960.7
TESTESTOSTERONEA2Q7K0.7
TESTESTOSTERONEA,B1Q130.7
TESTESTOSTERONEH1I9J0.7
TESTESTOSTERONEA,B1AFS0.7
TESTESTOSTERONEH1VPO0.7
TESTESTOSTERONEA2Q7J0.7
TESTESTOSTERONEA,B3BUR0.7
TESTESTOSTERONEA2AM90.7
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE		A,B2HFK0.8
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.74
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A3DBM0.79
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
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.73
OXR4-OXORETINOLA,B1X8L0.73
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
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A,B,E1R8Q0.75
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A1RE00.75
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A,E1S9D0.75
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.77
SRNSORANGICIN AC,D1YNJ0.7
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid		A,B2VV40.82
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.7
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
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid		A,B2VSR0.79
PGX7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-
2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-
YL]-HEPT-5-ENOIC ACID		A,B,C,D1DDX0.75
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B3DSJ0.79
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2RCH0.79
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2VST0.79
ELA9-OCTADECENOIC ACIDA1HMR0.7
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID		A1R6W0.79
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.7
EICLINOLEIC ACIDA2Q9S0.7
EICLINOLEIC ACIDA2EVL0.7
EICLINOLEIC ACIDA1IGZ0.7
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.96
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID		A1IK30.76
MEI(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-
2,4-DIENOIC ACID		A,B1UHL0.75
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.77
PG2PROSTAGLANDIN D2A,B1RY00.86
RCLRICINOLEIC ACIDA2CM40.76
RCLRICINOLEIC ACIDA2CM90.76
RCLRICINOLEIC ACIDA1FK70.76
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.71
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
RGCREIDISPONGIOLIDE CA2ASP0.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
SXNSalinixanthinA,B3DDL0.7
E2PPROSTAGLANDIN B2A1CZ20.85
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.74
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.7
VCAVACCENIC ACIDA,B2BAW0.7
VCAVACCENIC ACIDA,B2B500.7
VCAVACCENIC ACIDB2ACO0.7
VCAVACCENIC ACIDA,B2AWH0.7
MRCMUPIROCINA1JZS0.74
MRCMUPIROCINA,T1FFY0.74
MRCMUPIROCINA1QU30.74
MRCMUPIROCINA,T1QU20.74
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.84