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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01725383

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1DO1-DODECANOLA,Z2CFZ0.7
HND(4S)-nonane-1,4-diolA2KAR0.71
HND(4S)-nonane-1,4-diolA2KAS0.71
MPA(1R)-MENTHYL HEXYL PHOSPHONATE GROUPA1LPM0.73
MPC(1S)-MENTHYL HEXYL PHOSPHONATE GROUPA1LPS0.73
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1O0A0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A2I200.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1F4Z0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1F500.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1M0K0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1P8I0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1JV70.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1JV60.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1M0L0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1P8U0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A2I1X0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1KG80.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A2I210.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1P8H0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1C8R0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1M0M0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1MGY0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1KG90.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1S8J0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1C3W0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1KGB0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1C8S0.72
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1S8L0.72
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.81
DE1DECAN-1-OLA1ZNL0.7
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL
A1LHO0.73
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL
A,B2JAL0.71
OC9OCTAN-1-OLA1ZNH0.7
OC9OCTAN-1-OLA2QHV0.7
F09NONAN-1-OLA,C2DWD0.7
F09NONAN-1-OLB,C1R3L0.7
F09NONAN-1-OLC,H1R3I0.7
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.7
F09NONAN-1-OLC2DWE0.7
F09NONAN-1-OLA,C2HVJ0.7
F09NONAN-1-OLB,C1R3J0.7
F09NONAN-1-OLC1K4D0.7
F09NONAN-1-OLA,C1K4C0.7
F09NONAN-1-OLC2ATK0.7
F09NONAN-1-OLA,C1ZWI0.7
F09NONAN-1-OLA1ZNK0.7
F09NONAN-1-OLB,C1S5H0.7
F09NONAN-1-OLA,C2HVK0.7
F09NONAN-1-OLA,C2P7T0.7
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL
A1LHN0.73
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.8
L2P2,3-DI-PHYTANYL-GLYCEROLA1QM80.72
L2P2,3-DI-PHYTANYL-GLYCEROLA1UCQ0.72
L2P2,3-DI-PHYTANYL-GLYCEROLA2ZFE0.72
L2P2,3-DI-PHYTANYL-GLYCEROLA2EI40.72
L2P2,3-DI-PHYTANYL-GLYCEROLA1IW90.72
L2P2,3-DI-PHYTANYL-GLYCEROLA1IXF0.72
L2P2,3-DI-PHYTANYL-GLYCEROLA,B,D,E2Z550.72
L2P2,3-DI-PHYTANYL-GLYCEROL11X0K0.72
L2P2,3-DI-PHYTANYL-GLYCEROLA1X0S0.72
L2P2,3-DI-PHYTANYL-GLYCEROL11X0I0.72
L2P2,3-DI-PHYTANYL-GLYCEROLA1DZE0.72
L2P2,3-DI-PHYTANYL-GLYCEROLA1IW60.72
CNL1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANEA,B3BE00.7
CNL1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANEA,B1T2B0.7
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.8