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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03652030

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid
A,B2VSR0.72
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.7
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid
A,B2VV40.78
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.88
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.88
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.71
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.71
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.71
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.71
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.71
SIMSIMVASTATINA,B,C,D1HW90.75
1NB2-(2-HYDROXY-CYCLOPENTYL)-PENT-
4-ENAL
P1BRU0.77
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
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.79
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B3DSJ0.72
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2RCH0.72
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A,B2VST0.72
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid
A,B3DSI0.7
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.71
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.71
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.75
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.73
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID
A1R6W0.73
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.83
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.71
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate
A3D4S0.73
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,B1T020.77
114COMPACTINA,B,C,D1HW80.77
803LOVASTATINA,B1CQP0.77
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.72
GR33-ACETOXY-17-(1-FORMYL-5-METHYL-
3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-
TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-
4-CARBOXYLIC ACID
B,D1AWH0.74
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
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
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid
A3DBM0.72
ELA9-OCTADECENOIC ACIDA1HMR0.7
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.85
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.7
EICLINOLEIC ACIDA2Q9S0.7
EICLINOLEIC ACIDA2EVL0.7
EICLINOLEIC ACIDA1IGZ0.7
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.72
RCLRICINOLEIC ACIDA2CM40.76
RCLRICINOLEIC ACIDA2CM90.76
RCLRICINOLEIC ACIDA1FK70.76
GMMGLUCOSE MONOMYCOLATEA1UQS0.72
RGCREIDISPONGIOLIDE CA2ASP0.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
C0RCORTICOSTERONEA2A3I0.7
C0RCORTICOSTERONEA,B1Y5R0.7
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,C1YA80.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.73
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
PG2PROSTAGLANDIN D2A,B1RY00.91