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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02540529

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,E1R8Q0.72
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A1RE00.72
AFB1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-
1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-
4-ONE		A,E1S9D0.72
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE		A,B2HFK0.83
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
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.73
ZK59ALPHA-FLUOROCORTISOLA1GS40.71
LNLALPHA-LINOLENIC ACIDA2BYO0.7
LNLALPHA-LINOLENIC ACIDA1FK60.7
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,C1YA80.75
SIMSIMVASTATINA,B,C,D1HW90.74
ELA9-OCTADECENOIC ACIDA1HMR0.71
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.71
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,D1AWH0.72
EICLINOLEIC ACIDA2Q9S0.71
EICLINOLEIC ACIDA2EVL0.71
EICLINOLEIC ACIDA1IGZ0.71
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.7
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B3DSJ0.73
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2RCH0.73
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2VST0.73
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
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
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID		A1IK30.7
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid		A,B2VV40.75
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
RGCREIDISPONGIOLIDE CA2ASP0.7
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
C0RCORTICOSTERONEA2A3I0.71
C0RCORTICOSTERONEA,B1Y5R0.71
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid		A,B2VSR0.73
RCLRICINOLEIC ACIDA2CM40.77
RCLRICINOLEIC ACIDA2CM90.77
RCLRICINOLEIC ACIDA1FK70.77
1NB2-(2-HYDROXY-CYCLOPENTYL)-PENT-
4-ENAL		P1BRU0.75
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
DEXDEXAMETHASONEA,D1M2Z0.71
DEXDEXAMETHASONEA,B,C,D1P930.71
0ASasiatic acidA2QN10.72
VCAVACCENIC ACIDA,B2BAW0.71
VCAVACCENIC ACIDA,B2B500.71
VCAVACCENIC ACIDB2ACO0.71
VCAVACCENIC ACIDA,B2AWH0.71
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.7
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.7
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.7
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.7
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.7
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B2RCL0.72
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B3DSK0.72
PG2PROSTAGLANDIN D2A,B1RY00.84
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid		A,B3DSI0.71
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.76
GMMGLUCOSE MONOMYCOLATEA1UQS0.73
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.73
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A3DBM0.73
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid		A3DZT0.75
803LOVASTATINA,B1CQP0.76
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.84
114COMPACTINA,B,C,D1HW80.76
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,B1T020.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.74
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.72
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.72
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid		A,B2VV40.76