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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024834

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.9
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.9
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.9
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.88
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.88
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.88
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.86
AZ1AZELAIC ACIDA,B1TUF0.82
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.82
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.79
4OX4-OXODECANEDIOIC ACIDA1GJP0.79
DAOLAURIC ACIDA,B2B5S0.78
DAOLAURIC ACID1,51V9U0.78
DAOLAURIC ACIDA2AF90.78
DAOLAURIC ACIDA2GFY0.78
DAOLAURIC ACIDA2GMC0.78
DAOLAURIC ACID11FPN0.78
DAOLAURIC ACIDA1QFF0.78
DAOLAURIC ACIDA,B1MA00.78
DAOLAURIC ACIDA,B,C1TJJ0.78
DAOLAURIC ACIDA2AGC0.78
DAOLAURIC ACID1,41AYM0.78
DAOLAURIC ACID1,41AYN0.78
DAOLAURIC ACIDA,B,C,D2BZ30.78
DAOLAURIC ACIDA2OVD0.78
DAOLAURIC ACIDA,B2ALG0.78
DAOLAURIC ACIDA,B,C,D3FXI0.78
DAOLAURIC ACIDA1FK10.78
DAOLAURIC ACIDA,B,C,D1EK40.78
DAOLAURIC ACIDA,B2QHD0.78
DAOLAURIC ACIDA2GMD0.78
DAOLAURIC ACIDA,B2GRX0.78
DAOLAURIC ACIDA1QFG0.78
DAOLAURIC ACIDA,B,C2AG20.78
DAOLAURIC ACIDA,E3DPR0.78
DAOLAURIC ACIDA,B,C,D2BYZ0.78
DAOLAURIC ACIDA1E7F0.78
DAOLAURIC ACIDA,B1HZP0.78
DAOLAURIC ACIDA,B,C,D2BYX0.78
DAOLAURIC ACIDA1S8G0.78
DAOLAURIC ACIDA,B,C,D1M7W0.78
DAOLAURIC ACIDA2EVD0.78
DCRicosanoic acidA,B,C,D3EUT0.78
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.77
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.77
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.77
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.77
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.77
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.76
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		3CX50.75
CNSHEXADECYL OCTANOATEA,B1U9O0.73
CNSHEXADECYL OCTANOATEA1U9N0.73
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
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
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
6ULTETRACOSYL PALMITATEA,B2H260.71
BRC12-BROMODODECANOIC ACIDA1BSO0.71
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CX50.7
6PH(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoateA,C,D,E,L,N,
O,P,W		3CXH0.7
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CXH0.7
7PH(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoateA,C,D,E,L,N,
O,P,W		3CX50.7
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.7
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		2NX30.7