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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00467369

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A,B,E1R8Q0.77
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A1RE00.77
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A,E1S9D0.77
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid		A3DZT0.71
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid		A,B2VV40.84
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.81
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.75
PGX7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-
2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-
YL]-HEPT-5-ENOIC ACID		A,B,C,D1DDX0.82
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.72
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.79
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID		A1IK30.78
5HE(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-
6,8,11,14,17-pentaenoic acid		A,B2VV20.71
ODD(10E,12Z)-OCTADECA-10,12-DIENOIC ACIDA2BAB0.7
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID		A1R6W0.75
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
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.7
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.7
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.7
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A3DBM0.82
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.75
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A2ZB40.83
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A,B1V3V0.83
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.72
EICLINOLEIC ACIDA2Q9S0.72
EICLINOLEIC ACIDA2EVL0.72
EICLINOLEIC ACIDA1IGZ0.72
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.73
E2PPROSTAGLANDIN B2A1CZ20.77
MRCMUPIROCINA1JZS0.7
MRCMUPIROCINA,T1FFY0.7
MRCMUPIROCINA1QU30.7
MRCMUPIROCINA,T1QU20.7
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid		A,B3DSI0.79
0MAmaslinic acidA2QN20.71
ELA9-OCTADECENOIC ACIDA1HMR0.72
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid		A2RDS0.7
1PL(1S,3aS,5aR,8aS)-1,7,7-trimethyl-
1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-
4-carboxylic acid		A2RDN0.7
MEI(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-
2,4-DIENOIC ACID		A,B1UHL0.7
1NB2-(2-HYDROXY-CYCLOPENTYL)-PENT-
4-ENAL		P1BRU0.76
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
PG2PROSTAGLANDIN D2A,B1RY00.93
LNLALPHA-LINOLENIC ACIDA2BYO0.71
LNLALPHA-LINOLENIC ACIDA1FK60.71
OLAOLEIC ACIDA1VYF0.72
OLAOLEIC ACIDA2EV40.72
OLAOLEIC ACIDA1FK50.72
OLAOLEIC ACIDA1FE30.72
OLAOLEIC ACIDA,B2AG40.72
OLAOLEIC ACIDA,B1J780.72
OLAOLEIC ACIDA2E9L0.72
OLAOLEIC ACIDA,B2EV10.72
OLAOLEIC ACIDA1GNI0.72
OLAOLEIC ACIDA1SX60.72
OLAOLEIC ACIDA2E9M0.72
OLAOLEIC ACIDA2FLJ0.72
OLAOLEIC ACIDA2ZOX0.72
OLAOLEIC ACIDA2AF90.72
OLAOLEIC ACIDA,B,C2AG20.72
OLAOLEIC ACIDA2JU80.72
OLAOLEIC ACIDA,B1GT60.72
OLAOLEIC ACIDA,B,C1PMP0.72
OLAOLEIC ACIDA,B1DKF0.72
OLAOLEIC ACIDA1ICN0.72
OLAOLEIC ACIDA1G740.72
OLAOLEIC ACIDA,B1J7E0.72
OLAOLEIC ACIDA1LFO0.72
OLAOLEIC ACIDA1HMS0.72
OLAOLEIC ACIDA2EV30.72
OLAOLEIC ACIDA2EV20.72
OLAOLEIC ACIDA2FTB0.72
OLAOLEIC ACIDA1LID0.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.72
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid		A,B2VSR0.82
VCAVACCENIC ACIDA,B2BAW0.72
VCAVACCENIC ACIDA,B2B500.72
VCAVACCENIC ACIDB2ACO0.72
VCAVACCENIC ACIDA,B2AWH0.72
PAMPALMITOLEIC ACIDA,B,C,D1SMJ0.71
PAMPALMITOLEIC ACIDA,B,C1IZO0.71
PAMPALMITOLEIC ACIDA,B,C,D1FAG0.71
PAMPALMITOLEIC ACIDA1FK30.71
PAMPALMITOLEIC ACIDA,B3EKD0.71
PAMPALMITOLEIC ACIDA2UUH0.71
PAMPALMITOLEIC ACIDA,B1YH80.71
PAMPALMITOLEIC ACIDA,B1YHC0.71
PAMPALMITOLEIC ACIDA1UVB0.71
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.76
803LOVASTATINA,B1CQP0.71
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,B1T020.71
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.93
114COMPACTINA,B,C,D1HW80.71
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.73
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.79
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE		A,B2HFK0.78
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid		A,B2VV40.83
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B3DSJ0.82
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2RCH0.82
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2VST0.82
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B2RCL0.73
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B3DSK0.73
RCLRICINOLEIC ACIDA2CM40.79
RCLRICINOLEIC ACIDA2CM90.79
RCLRICINOLEIC ACIDA1FK70.79