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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03304782

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID		A1IK30.73
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.81
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.81
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.81
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.81
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.81
CDLCARDIOLIPINH,L,M3DTA0.75
CDLCARDIOLIPINC1E140.75
CDLCARDIOLIPINA,C,D,E,G,N,
P,Q,R,S		3H1J0.75
CDLCARDIOLIPINH,L,M2UX50.75
CDLCARDIOLIPINH,L,M3DTS0.75
CDLCARDIOLIPINH,L,M1K6N0.75
CDLCARDIOLIPINL,M1YF60.75
CDLCARDIOLIPINH,L,M2UXJ0.75
CDLCARDIOLIPINA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.75
CDLCARDIOLIPINL,M1M3X0.75
CDLCARDIOLIPINH,L,M2HJ60.75
CDLCARDIOLIPINL,M1KBY0.75
CDLCARDIOLIPINH,L,M1RG50.75
CDLCARDIOLIPINA,C,D,E,G,P,
Q,R,W		3CWB0.75
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.75
CDLCARDIOLIPINL,M1JGY0.75
CDLCARDIOLIPINH,L,M3DTR0.75
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.75
CDLCARDIOLIPINH,L,M2J8D0.75
CDLCARDIOLIPINH,L,M1RY50.75
CDLCARDIOLIPINH,L,M1RZH0.75
CDLCARDIOLIPINH,L,M2UXK0.75
CDLCARDIOLIPINH,L,M2HH10.75
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1H0.75
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1K0.75
CDLCARDIOLIPINH,L,M3DU20.75
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.75
CDLCARDIOLIPINL,M2JJ00.75
CDLCARDIOLIPINH,L,M1RVJ0.75
CDLCARDIOLIPINL,M1JGW0.75
CDLCARDIOLIPINH,L,M1K6L0.75
CDLCARDIOLIPINH,L,M2HHK0.75
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.75
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.75
CDLCARDIOLIPINA2C3E0.75
CDLCARDIOLIPINH,L,M3DSY0.75
CDLCARDIOLIPINL,M1JGZ0.75
CDLCARDIOLIPINH,L,M2J8C0.75
CDLCARDIOLIPINH,L,M2UWU0.75
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.75
CDLCARDIOLIPINH,L,M2HG90.75
CDLCARDIOLIPINH,L,M2HIT0.75
CDLCARDIOLIPINH,L,M2JIY0.75
CDLCARDIOLIPINH,L,M1RQK0.75
CDLCARDIOLIPINA,B,C1KQG0.75
CDLCARDIOLIPINA,C,D,E1KB90.75
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.75
CDLCARDIOLIPINH,L,M2UX40.75
CDLCARDIOLIPINL,M1QOV0.75
CDLCARDIOLIPINH,L,M3DU30.75
CDLCARDIOLIPINA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.75
CDLCARDIOLIPINH,L,M2GNU0.75
CDLCARDIOLIPINL,M1OGV0.75
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1I0.75
CDLCARDIOLIPINH,L,M3DUQ0.75
CDLCARDIOLIPINA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.75
CDLCARDIOLIPINH,L,M2HG30.75
CDLCARDIOLIPINH,L,M2UX30.75
CDLCARDIOLIPINA,B,C1KQF0.75
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.75
CDLCARDIOLIPINH,L,M2UWW0.75
CDLCARDIOLIPINA1OKC0.75
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.75
CDLCARDIOLIPINA,C,D,E,G,J1SQP0.75
CDLCARDIOLIPINA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.75
CDLCARDIOLIPINA,C,D,E1P840.75
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.89
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.89
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.89
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.74
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.74
CN3(2R,5S,11R,14R)-5,8,11-trihydroxy-
2-(nonanoyloxy)-5,11-dioxido-16-
oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-
pentaoxa-5,11-diphosphanonadec-
1-yl undecanoate		A,C,D,E,L,N,
O,P,W		3CX50.75
2SP(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATEA1PUB0.73
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.8
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.7
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.8
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.8
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.8
DGADIACYL GLYCEROLA,C2NLJ0.89
DGADIACYL GLYCEROLA,C1ZWI0.89
DGADIACYL GLYCEROLB,C1R3J0.89
DGADIACYL GLYCEROLC1K4D0.89
DGADIACYL GLYCEROLA,C1K4C0.89
DGADIACYL GLYCEROLC1R3K0.89
DGADIACYL GLYCEROLB,C1S5H0.89
DGADIACYL GLYCEROLC,H1R3I0.89
DGADIACYL GLYCEROLB,C1R3L0.89
CN6(2R,5R,11S,14R)-2-(butanoyloxy)-
5,8,11-trihydroxy-5,11-dioxido-
16-oxo-14-[(propanoyloxy)methyl]-
4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-
1-yl undecanoate		A,C,D,E,L,N,
O,P,W		3CXH0.77
CN5(5S,11R)-5,8,11-trihydroxy-5,11-
dioxido-17-oxo-4,6,10,12,16-pentaoxa-
5,11-diphosphaoctadec-1-yl pentadecanoate		A,C,D,E,L,N,
O,P,W		3CX50.76
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.74
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.74
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5N0.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,C,D,E1P840.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1SIW0.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Q160.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5L0.73
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5I0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.73
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.73
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.73
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.91
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.91
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.91
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.91
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.91
CNSHEXADECYL OCTANOATEA,B1U9O0.71
CNSHEXADECYL OCTANOATEA1U9N0.71
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.72