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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02822131

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1DO1-DODECANOLA,Z2CFZ0.72
GVT3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-
1-ol
A,B,C,D,E,F,
G,H,I
2VQG0.82
OC9OCTAN-1-OLA1ZNH0.72
OC9OCTAN-1-OLA2QHV0.72
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.75
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.75
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1O0A0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A2I200.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1F4Z0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1F500.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1M0K0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1P8I0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1JV70.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1JV60.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1M0L0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1P8U0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A2I1X0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1KG80.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A2I210.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1P8H0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1C8R0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1M0M0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1MGY0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1KG90.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1S8J0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1C3W0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1KGB0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1C8S0.74
LI11-[2,6,10.14-TETRAMETHYL-HEXADECAN-
16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-
16-YL]GLYCEROL
A1S8L0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2R8A0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2VQI0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2POR0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H350.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2F1T0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,D,E2GR70.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA5PRN0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2QTK0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1PRN0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXT0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFP0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQG0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA7PRN0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX3DWO0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H390.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2BIX0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3B0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6H0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJP0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2ODJ0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFO0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BRY0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3BRZ0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFQ0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2ZFG0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BXW0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFN0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2O4V0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,C1ETH0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6Q0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX2F1C0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BH30.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O790.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C3DZM0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2SQC0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA8PRN0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6R0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2PRN0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BS00.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJ80.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3A0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1MPF0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQH0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1GSZ0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQE0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXX0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H370.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1T160.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFM0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1GZM0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3PRN0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2OMF0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1UMP0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H360.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3C0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3C9L0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA6PRN0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQF0.84
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3POR0.84
DE1DECAN-1-OLA1ZNL0.72
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8T0.7
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8U0.7
PQE3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-
1-OL
A2NR90.78
ZPG(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-
PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-
2,21-DIOL
A2H2I0.71
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.84
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.71
HND(4S)-nonane-1,4-diolA2KAR0.78
HND(4S)-nonane-1,4-diolA2KAS0.78
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B2B7O0.82
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1L0V0.82
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1KFY0.82
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,D2W1A0.82
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,M,N,O,P1KF60.82
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6U0.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W160.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W760.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W780.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDK0.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6T0.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2W750.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A1TV50.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2O5P0.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDL0.84
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W770.84
CE9DODECYL NONA ETHYLENE GLYCOL ETHERA3DM80.82
F09NONAN-1-OLA,C2DWD0.72
F09NONAN-1-OLB,C1R3L0.72
F09NONAN-1-OLC,H1R3I0.72
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.72
F09NONAN-1-OLC2DWE0.72
F09NONAN-1-OLA,C2HVJ0.72
F09NONAN-1-OLB,C1R3J0.72
F09NONAN-1-OLC1K4D0.72
F09NONAN-1-OLA,C1K4C0.72
F09NONAN-1-OLC2ATK0.72
F09NONAN-1-OLA,C1ZWI0.72
F09NONAN-1-OLA1ZNK0.72
F09NONAN-1-OLB,C1S5H0.72
F09NONAN-1-OLA,C2HVK0.72
F09NONAN-1-OLA,C2P7T0.72
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B2ERV0.84
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYN0.84
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA1P4T0.84
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYO0.84
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B3FID0.84
ODIOCTANE-1,8-DIOLA2DM50.72
DEMDECYLOXY-METHANOLA1EK80.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.78
HTOHEPTANE-1,2,3-TRIOLA2PIL0.78
HTOHEPTANE-1,2,3-TRIOLA,B1U190.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.78
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.78
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.78
HTOHEPTANE-1,2,3-TRIOLA,B2G870.78
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.78
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.78
HTOHEPTANE-1,2,3-TRIOLA1KMO0.78
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.78
HTOHEPTANE-1,2,3-TRIOLA1AY20.78
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.78
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.78
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.78
HTOHEPTANE-1,2,3-TRIOLB2BF30.78
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.78
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.78
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.78
HTOHEPTANE-1,2,3-TRIOLA2HI20.78
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.78
L2P2,3-DI-PHYTANYL-GLYCEROLA1QM80.74
L2P2,3-DI-PHYTANYL-GLYCEROLA1UCQ0.74
L2P2,3-DI-PHYTANYL-GLYCEROLA2ZFE0.74
L2P2,3-DI-PHYTANYL-GLYCEROLA2EI40.74
L2P2,3-DI-PHYTANYL-GLYCEROLA1IW90.74
L2P2,3-DI-PHYTANYL-GLYCEROLA1IXF0.74
L2P2,3-DI-PHYTANYL-GLYCEROLA,B,D,E2Z550.74
L2P2,3-DI-PHYTANYL-GLYCEROL11X0K0.74
L2P2,3-DI-PHYTANYL-GLYCEROLA1X0S0.74
L2P2,3-DI-PHYTANYL-GLYCEROL11X0I0.74
L2P2,3-DI-PHYTANYL-GLYCEROLA1DZE0.74
L2P2,3-DI-PHYTANYL-GLYCEROLA1IW60.74