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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03208597

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6ULTETRACOSYL PALMITATEA,B2H260.71
CNSHEXADECYL OCTANOATEA,B1U9O0.73
CNSHEXADECYL OCTANOATEA1U9N0.73
VCAVACCENIC ACIDA,B2BAW0.83
VCAVACCENIC ACIDA,B2B500.83
VCAVACCENIC ACIDB2ACO0.83
VCAVACCENIC ACIDA,B2AWH0.83
HO2(9E,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A3DBM0.76
PAMPALMITOLEIC ACIDA,B,C,D1SMJ0.85
PAMPALMITOLEIC ACIDA,B,C1IZO0.85
PAMPALMITOLEIC ACIDA,B,C,D1FAG0.85
PAMPALMITOLEIC ACIDA1FK30.85
PAMPALMITOLEIC ACIDA,B3EKD0.85
PAMPALMITOLEIC ACIDA2UUH0.85
PAMPALMITOLEIC ACIDA,B1YH80.85
PAMPALMITOLEIC ACIDA,B1YHC0.85
PAMPALMITOLEIC ACIDA1UVB0.85
9OH(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-
OCTADECENOIC ACID		A1IK30.74
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B2RCL0.83
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid		A,B3DSK0.83
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 ACIDA1HMR0.83
EICLINOLEIC ACIDA2Q9S0.83
EICLINOLEIC ACIDA2EVL0.83
EICLINOLEIC ACIDA1IGZ0.83
NER(15E)-TETRACOS-15-ENOIC ACIDA2EUK0.83
ODT(11E,13E,15Z)-OCTADECA-11,13,15-
TRIENOIC ACID		A2BAC0.82
13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.76
P0EPHOSPHATIDYL ETHANOLA1YOW0.71
OLAOLEIC ACIDA1VYF0.83
OLAOLEIC ACIDA2EV40.83
OLAOLEIC ACIDA1FK50.83
OLAOLEIC ACIDA1FE30.83
OLAOLEIC ACIDA,B2AG40.83
OLAOLEIC ACIDA,B1J780.83
OLAOLEIC ACIDA2E9L0.83
OLAOLEIC ACIDA,B2EV10.83
OLAOLEIC ACIDA1GNI0.83
OLAOLEIC ACIDA1SX60.83
OLAOLEIC ACIDA2E9M0.83
OLAOLEIC ACIDA2FLJ0.83
OLAOLEIC ACIDA2ZOX0.83
OLAOLEIC ACIDA2AF90.83
OLAOLEIC ACIDA,B,C2AG20.83
OLAOLEIC ACIDA2JU80.83
OLAOLEIC ACIDA,B1GT60.83
OLAOLEIC ACIDA,B,C1PMP0.83
OLAOLEIC ACIDA,B1DKF0.83
OLAOLEIC ACIDA1ICN0.83
OLAOLEIC ACIDA1G740.83
OLAOLEIC ACIDA,B1J7E0.83
OLAOLEIC ACIDA1LFO0.83
OLAOLEIC ACIDA1HMS0.83
OLAOLEIC ACIDA2EV30.83
OLAOLEIC ACIDA2EV20.83
OLAOLEIC ACIDA2FTB0.83
OLAOLEIC ACIDA1LID0.83
ACDARACHIDONIC ACIDA1DIY0.72
ACDARACHIDONIC ACIDA1VYG0.72
ACDARACHIDONIC ACIDA1U670.72
ACDARACHIDONIC ACIDA1GNJ0.72
ACDARACHIDONIC ACIDA1ADL0.72
ACDARACHIDONIC ACIDA,B1CVU0.72
PGW(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-
1-[(hexadecanoyloxy)methyl]ethyl (9Z)-
octadec-9-enoate		A,B,G,H2R9R0.7
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.72
LNLALPHA-LINOLENIC ACIDA2BYO0.85
LNLALPHA-LINOLENIC ACIDA1FK60.85
ODD(10E,12Z)-OCTADECA-10,12-DIENOIC ACIDA2BAB0.8
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B3DSJ0.76
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2RCH0.76
243(9Z,11E,13S)-13-hydroxyoctadeca-
9,11-dienoic acid		A,B2VST0.76
P6L(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-
OCTADEC-8-ENOATE		A1YOK0.7
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate		A3D4S0.79
T24(9Z,11E,13S,15Z)-13-hydroxyoctadeca-
9,11,15-trienoic acid		A,B3DSI0.76
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid		A3DZT0.72
9HO(9S,10E,12Z)-9-hydroxyoctadeca-
10,12-dienoic acid		A,B2VSR0.76
ASY(12E)-10-oxooctadec-12-enoic acidA,B3CEE0.8
13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDA1IK30.76
RCLRICINOLEIC ACIDA2CM40.81
RCLRICINOLEIC ACIDA2CM90.81
RCLRICINOLEIC ACIDA1FK70.81
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		2DYS0.7
PGV(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-
OCTADEC-11-ENOATE		A,B2IRV0.7
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		2EIL0.7
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		2DYR0.7
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		2EIM0.7
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		1V550.7
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		2EIN0.7
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		2EIK0.7
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		1V540.7
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		2ZXW0.7
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		2EIJ0.7
EPA5,8,11,14,17-EICOSAPENTAENOIC ACIDA1IGX0.72
EPA5,8,11,14,17-EICOSAPENTAENOIC ACIDA,B3GWX0.72
DR91-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROLA1YMT0.7
LAXEICOSA-8,11,14-TRIENOIC ACIDA1FE20.83
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid		A,B2VV40.76