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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02440274

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2SP(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATEA1PUB0.7
CDLCARDIOLIPINH,L,M3DTA0.73
CDLCARDIOLIPINC1E140.73
CDLCARDIOLIPINA,C,D,E,G,N,
P,Q,R,S		3H1J0.73
CDLCARDIOLIPINH,L,M2UX50.73
CDLCARDIOLIPINH,L,M3DTS0.73
CDLCARDIOLIPINH,L,M1K6N0.73
CDLCARDIOLIPINL,M1YF60.73
CDLCARDIOLIPINH,L,M2UXJ0.73
CDLCARDIOLIPINA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.73
CDLCARDIOLIPINL,M1M3X0.73
CDLCARDIOLIPINH,L,M2HJ60.73
CDLCARDIOLIPINL,M1KBY0.73
CDLCARDIOLIPINH,L,M1RG50.73
CDLCARDIOLIPINA,C,D,E,G,P,
Q,R,W		3CWB0.73
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.73
CDLCARDIOLIPINL,M1JGY0.73
CDLCARDIOLIPINH,L,M3DTR0.73
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.73
CDLCARDIOLIPINH,L,M2J8D0.73
CDLCARDIOLIPINH,L,M1RY50.73
CDLCARDIOLIPINH,L,M1RZH0.73
CDLCARDIOLIPINH,L,M2UXK0.73
CDLCARDIOLIPINH,L,M2HH10.73
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1H0.73
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1K0.73
CDLCARDIOLIPINH,L,M3DU20.73
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.73
CDLCARDIOLIPINL,M2JJ00.73
CDLCARDIOLIPINH,L,M1RVJ0.73
CDLCARDIOLIPINL,M1JGW0.73
CDLCARDIOLIPINH,L,M1K6L0.73
CDLCARDIOLIPINH,L,M2HHK0.73
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.73
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.73
CDLCARDIOLIPINA2C3E0.73
CDLCARDIOLIPINH,L,M3DSY0.73
CDLCARDIOLIPINL,M1JGZ0.73
CDLCARDIOLIPINH,L,M2J8C0.73
CDLCARDIOLIPINH,L,M2UWU0.73
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.73
CDLCARDIOLIPINH,L,M2HG90.73
CDLCARDIOLIPINH,L,M2HIT0.73
CDLCARDIOLIPINH,L,M2JIY0.73
CDLCARDIOLIPINH,L,M1RQK0.73
CDLCARDIOLIPINA,B,C1KQG0.73
CDLCARDIOLIPINA,C,D,E1KB90.73
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.73
CDLCARDIOLIPINH,L,M2UX40.73
CDLCARDIOLIPINL,M1QOV0.73
CDLCARDIOLIPINH,L,M3DU30.73
CDLCARDIOLIPINA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.73
CDLCARDIOLIPINH,L,M2GNU0.73
CDLCARDIOLIPINL,M1OGV0.73
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R		3H1I0.73
CDLCARDIOLIPINH,L,M3DUQ0.73
CDLCARDIOLIPINA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.73
CDLCARDIOLIPINH,L,M2HG30.73
CDLCARDIOLIPINH,L,M2UX30.73
CDLCARDIOLIPINA,B,C1KQF0.73
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.73
CDLCARDIOLIPINH,L,M2UWW0.73
CDLCARDIOLIPINA1OKC0.73
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.73
CDLCARDIOLIPINA,C,D,E,G,J1SQP0.73
CDLCARDIOLIPINA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.73
CDLCARDIOLIPINA,C,D,E1P840.73
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.7
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.78
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.78
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.78
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		3CX50.73
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.79
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.72
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.72
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		3CX50.77
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.72
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.72
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.78
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.78
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.78
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.78
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.78
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.78
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5N0.7
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,C,D,E1P840.7
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1SIW0.7
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Q160.7
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5L0.7
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5I0.7
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.75
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2NX30.75
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.89
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.89
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.89
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.76
AZ1AZELAIC ACIDA,B1TUF0.72
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		3CXH0.74
CNSHEXADECYL OCTANOATEA,B1U9O0.71
CNSHEXADECYL OCTANOATEA1U9N0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.87
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.87
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.87
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.76