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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03131681

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.73
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID		A1IK30.85
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B3DSJ0.78
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2RCH0.78
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2VST0.78
LNLALPHA-LINOLENIC ACIDA2BYO0.78
LNLALPHA-LINOLENIC ACIDA1FK60.78
PGW(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-
1-[(hexadecanoyloxy)methyl]ethyl (9Z)-
octadec-9-enoate		A,B,G,H2R9R0.73
VCAVACCENIC ACIDA,B2BAW0.8
VCAVACCENIC ACIDA,B2B500.8
VCAVACCENIC ACIDB2ACO0.8
VCAVACCENIC ACIDA,B2AWH0.8
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid		A,B3DSI0.78
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid		A,B2VSR0.78
PAMPALMITOLEIC ACIDA,B,C,D1SMJ0.78
PAMPALMITOLEIC ACIDA,B,C1IZO0.78
PAMPALMITOLEIC ACIDA,B,C,D1FAG0.78
PAMPALMITOLEIC ACIDA1FK30.78
PAMPALMITOLEIC ACIDA,B3EKD0.78
PAMPALMITOLEIC ACIDA2UUH0.78
PAMPALMITOLEIC ACIDA,B1YH80.78
PAMPALMITOLEIC ACIDA,B1YHC0.78
PAMPALMITOLEIC ACIDA1UVB0.78
MPG1-MONOOLEOYL-RAC-GLYCEROLA2GUF0.71
MPG1-MONOOLEOYL-RAC-GLYCEROLA,B1E120.71
OLAOLEIC ACIDA1VYF0.8
OLAOLEIC ACIDA2EV40.8
OLAOLEIC ACIDA1FK50.8
OLAOLEIC ACIDA1FE30.8
OLAOLEIC ACIDA,B2AG40.8
OLAOLEIC ACIDA,B1J780.8
OLAOLEIC ACIDA2E9L0.8
OLAOLEIC ACIDA,B2EV10.8
OLAOLEIC ACIDA1GNI0.8
OLAOLEIC ACIDA1SX60.8
OLAOLEIC ACIDA2E9M0.8
OLAOLEIC ACIDA2FLJ0.8
OLAOLEIC ACIDA2ZOX0.8
OLAOLEIC ACIDA2AF90.8
OLAOLEIC ACIDA,B,C2AG20.8
OLAOLEIC ACIDA2JU80.8
OLAOLEIC ACIDA,B1GT60.8
OLAOLEIC ACIDA,B,C1PMP0.8
OLAOLEIC ACIDA,B1DKF0.8
OLAOLEIC ACIDA1ICN0.8
OLAOLEIC ACIDA1G740.8
OLAOLEIC ACIDA,B1J7E0.8
OLAOLEIC ACIDA1LFO0.8
OLAOLEIC ACIDA1HMS0.8
OLAOLEIC ACIDA2EV30.8
OLAOLEIC ACIDA2EV20.8
OLAOLEIC ACIDA2FTB0.8
OLAOLEIC ACIDA1LID0.8
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.78
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid		A,B2VV40.75
4R8(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-
6,10,13,16,19-pentaenoic acid		A2VV30.71
ELA9-OCTADECENOIC ACIDA1HMR0.8
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.8
EICLINOLEIC ACIDA2Q9S0.8
EICLINOLEIC ACIDA2EVL0.8
EICLINOLEIC ACIDA1IGZ0.8
ODD(10E,12Z)-OCTADECA-10,12-DIENOIC ACIDA2BAB0.77
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid		A,B2VV40.78
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B2IRV0.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.73
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.73
P0EPHOSPHATIDYL ETHANOLA1YOW0.74
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A3DBM0.78
DR91-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROLA1YMT0.73
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B2RCL0.95
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B3DSK0.95
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.82
P3APHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROLA1ZDU0.72
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.8
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid		A3DZT0.77
P6L(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-
OCTADEC-8-ENOATE		A1YOK0.73
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.82
RCLRICINOLEIC ACIDA2CM40.87
RCLRICINOLEIC ACIDA2CM90.87
RCLRICINOLEIC ACIDA1FK70.87
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.8
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.78
ODT(11E,13E,15Z)-OCTADECA-11,13,15-
TRIENOIC ACID		A2BAC0.75