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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03468451

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA1Y9T0.83
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA,B3E3C0.83
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
3CX50.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J
2CYD0.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J
2DB40.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C2BHW0.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J
2BL20.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,F,I,J,
K,L,M,X
1JB00.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
G,H,I,J
1RWT0.73
LHG1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.73
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
3CX50.72
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5N0.79
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,C,D,E1P840.79
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1SIW0.79
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Q160.79
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5L0.79
3PH1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATEA,B,C1Y5I0.79
HI52-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATEA1V0Y0.85
CDLCARDIOLIPINH,L,M3DTA0.72
CDLCARDIOLIPINC1E140.72
CDLCARDIOLIPINA,C,D,E,G,N,
P,Q,R,S
3H1J0.72
CDLCARDIOLIPINH,L,M2UX50.72
CDLCARDIOLIPINH,L,M3DTS0.72
CDLCARDIOLIPINH,L,M1K6N0.72
CDLCARDIOLIPINL,M1YF60.72
CDLCARDIOLIPINH,L,M2UXJ0.72
CDLCARDIOLIPINA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.72
CDLCARDIOLIPINL,M1M3X0.72
CDLCARDIOLIPINH,L,M2HJ60.72
CDLCARDIOLIPINL,M1KBY0.72
CDLCARDIOLIPINH,L,M1RG50.72
CDLCARDIOLIPINA,C,D,E,G,P,
Q,R,W
3CWB0.72
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.72
CDLCARDIOLIPINL,M1JGY0.72
CDLCARDIOLIPINH,L,M3DTR0.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.72
CDLCARDIOLIPINH,L,M2J8D0.72
CDLCARDIOLIPINH,L,M1RY50.72
CDLCARDIOLIPINH,L,M1RZH0.72
CDLCARDIOLIPINH,L,M2UXK0.72
CDLCARDIOLIPINH,L,M2HH10.72
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R
3H1H0.72
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R
3H1K0.72
CDLCARDIOLIPINH,L,M3DU20.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.72
CDLCARDIOLIPINL,M2JJ00.72
CDLCARDIOLIPINH,L,M1RVJ0.72
CDLCARDIOLIPINL,M1JGW0.72
CDLCARDIOLIPINH,L,M1K6L0.72
CDLCARDIOLIPINH,L,M2HHK0.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.72
CDLCARDIOLIPINA2C3E0.72
CDLCARDIOLIPINH,L,M3DSY0.72
CDLCARDIOLIPINL,M1JGZ0.72
CDLCARDIOLIPINH,L,M2J8C0.72
CDLCARDIOLIPINH,L,M2UWU0.72
CDLCARDIOLIPINA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.72
CDLCARDIOLIPINH,L,M2HG90.72
CDLCARDIOLIPINH,L,M2HIT0.72
CDLCARDIOLIPINH,L,M2JIY0.72
CDLCARDIOLIPINH,L,M1RQK0.72
CDLCARDIOLIPINA,B,C1KQG0.72
CDLCARDIOLIPINA,C,D,E1KB90.72
CDLCARDIOLIPINA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.72
CDLCARDIOLIPINH,L,M2UX40.72
CDLCARDIOLIPINL,M1QOV0.72
CDLCARDIOLIPINH,L,M3DU30.72
CDLCARDIOLIPINA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.72
CDLCARDIOLIPINH,L,M2GNU0.72
CDLCARDIOLIPINL,M1OGV0.72
CDLCARDIOLIPINA,C,D,E,N,P,
Q,R
3H1I0.72
CDLCARDIOLIPINH,L,M3DUQ0.72
CDLCARDIOLIPINA,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.72
CDLCARDIOLIPINH,L,M2HG30.72
CDLCARDIOLIPINH,L,M2UX30.72
CDLCARDIOLIPINA,B,C1KQF0.72
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W
2A060.72
CDLCARDIOLIPINH,L,M2UWW0.72
CDLCARDIOLIPINA1OKC0.72
CDLCARDIOLIPINA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.72
CDLCARDIOLIPINA,C,D,E,G,J1SQP0.72
CDLCARDIOLIPINA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.72
CDLCARDIOLIPINA,C,D,E1P840.72
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W
3CXH0.8
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W
3CX50.8
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F,
G,H
2BOY0.79
LPP2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATEA,B,C,D,E,F1HG40.79
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W
3CX50.8
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W
3CXH0.8
PA6(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATEA2NR91
2SP(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATEA1PUB0.79
PGT(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE
H,L,M2HHK0.73
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
A,B,C,E,F,G2ABM0.75
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
A,B,C1Y5I0.75
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
A,B,C1Y4Z0.75
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
A,B,C1Y5N0.75
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
A,B,C1Q160.75
PBU(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-
2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-
1,2-DIYL DIBUTANOATE
A2K4I0.7
PBU(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-
2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-
1,2-DIYL DIBUTANOATE
A2H3Q0.7
PBU(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-
2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-
1,2-DIYL DIBUTANOATE
A2H3Z0.7
PD7(2R)-3-(phosphonooxy)propane-1,2-
diyl diheptanoate
A2ZE90.81
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]
A1N890.75
PGM1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-
3-[PHOSPHO-RAC-(1-GLYCEROL)]
A1TUK0.75
MYY(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATEA,B1UN80.79
PIB2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-
TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE
A1ZSQ0.7
PIB2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-
TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE
A1H6H0.7
PIB2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-
TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE
A2RAK0.7
PIB2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-
TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE
A,B1OCU0.7
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
3CXH0.73