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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012664

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DE1DECAN-1-OLA1ZNL0.85
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.72
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
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2R8A0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2VQI0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2POR0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H350.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2F1T0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,D,E2GR70.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA5PRN0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2QTK0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1PRN0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXT0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFP0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQG0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA7PRN0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX3DWO0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H390.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2BIX0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3B0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6H0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJP0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2ODJ0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFO0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BRY0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3BRZ0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFQ0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2ZFG0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BXW0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFN0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2O4V0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,C1ETH0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6Q0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX2F1C0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BH30.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O790.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C3DZM0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2SQC0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA8PRN0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6R0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2PRN0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BS00.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJ80.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3A0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1MPF0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQH0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1GSZ0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQE0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXX0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H370.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1T160.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFM0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1GZM0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3PRN0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2OMF0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1UMP0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H360.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3C0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3C9L0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA6PRN0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQF0.77
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3POR0.77
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B2B7O0.75
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1L0V0.75
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1KFY0.75
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,D2W1A0.75
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,M,N,O,P1KF60.75
OC9OCTAN-1-OLA1ZNH0.85
OC9OCTAN-1-OLA2QHV0.85
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.77
CE9DODECYL NONA ETHYLENE GLYCOL ETHERA3DM80.75
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.7
RNTL-RHAMNITOLA,B,C,D1DE50.74
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8T0.72
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8U0.72
1DO1-DODECANOLA,Z2CFZ0.85
BDDBROMO-DODECANOLA1N8U0.71
BDDBROMO-DODECANOLA,B1N8V0.71
SORD-SORBITOLA1FQA0.71
SORD-SORBITOLA,B,C,D3XIM0.71
SORD-SORBITOLA2VFT0.71
SORD-SORBITOLA,B,C,D5XIM0.71
SORD-SORBITOLA3BRF0.71
SORD-SORBITOLA1XIH0.71
SORD-SORBITOLA2DXR0.71
SORD-SORBITOLA1D8C0.71
SORD-SORBITOLA,B,C,D2XIN0.71
SORD-SORBITOLA1FQB0.71
SORD-SORBITOLA,B4XIA0.71
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B2ERV0.77
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYN0.77
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA1P4T0.77
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYO0.77
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B3FID0.77
DEMDECYLOXY-METHANOLA1EK80.74
HND(4S)-nonane-1,4-diolA2KAR0.91
HND(4S)-nonane-1,4-diolA2KAS0.91
ODIOCTANE-1,8-DIOLA2DM50.85
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
HE4HEPTAN-1-OLA1ZNG0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.91
HTOHEPTANE-1,2,3-TRIOLA2PIL0.91
HTOHEPTANE-1,2,3-TRIOLA,B1U190.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.91
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.91
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.91
HTOHEPTANE-1,2,3-TRIOLA,B2G870.91
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.91
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.91
HTOHEPTANE-1,2,3-TRIOLA1KMO0.91
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.91
HTOHEPTANE-1,2,3-TRIOLA1AY20.91
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.91
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.91
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.91
HTOHEPTANE-1,2,3-TRIOLB2BF30.91
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.91
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.91
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.91
HTOHEPTANE-1,2,3-TRIOLA2HI20.91
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.91
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.91
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6U0.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W160.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W760.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W780.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDK0.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6T0.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2W750.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A1TV50.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2O5P0.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDL0.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W770.77
FOCFUCITOLA,B,C,D,E,F1FUI0.74
PL3HEXADECAN-1-OLA,B,C,D2UUU0.8
PL3HEXADECAN-1-OLA,B,C,D2UUV0.8
F09NONAN-1-OLA,C2DWD0.85
F09NONAN-1-OLB,C1R3L0.85
F09NONAN-1-OLC,H1R3I0.85
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.85
F09NONAN-1-OLC2DWE0.85
F09NONAN-1-OLA,C2HVJ0.85
F09NONAN-1-OLB,C1R3J0.85
F09NONAN-1-OLC1K4D0.85
F09NONAN-1-OLA,C1K4C0.85
F09NONAN-1-OLC2ATK0.85
F09NONAN-1-OLA,C1ZWI0.85
F09NONAN-1-OLA1ZNK0.85
F09NONAN-1-OLB,C1S5H0.85
F09NONAN-1-OLA,C2HVK0.85
F09NONAN-1-OLA,C2P7T0.85
MTLD-MANNITOLA,B1ZZU0.71
MTLD-MANNITOLA,B1ZZQ0.71
MTLD-MANNITOLA,B1M2W0.71
MTLD-MANNITOLA2VFU0.71
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.71
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.73
PQE3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-
1-OL
A2NR90.71
GVT3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-
1-ol
A,B,C,D,E,F,
G,H,I
2VQG0.75