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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03810860

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8T0.84
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8U0.84
OC9OCTAN-1-OLA1ZNH0.74
OC9OCTAN-1-OLA2QHV0.74
BGLB-2-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJY0.74
BGLB-2-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.74
BGLB-2-OCTYLGLUCOSIDEA,B1L9N0.74
BGLB-2-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.74
BGLB-2-OCTYLGLUCOSIDEA1TAU0.74
BGLB-2-OCTYLGLUCOSIDEB1RC20.74
BGLB-2-OCTYLGLUCOSIDEC,H,L,M1EYS0.74
BGLB-2-OCTYLGLUCOSIDEA,B3CAP0.74
BGLB-2-OCTYLGLUCOSIDEA1TAQ0.74
BGLB-2-OCTYLGLUCOSIDEA,B,C,E,F,G2ABM0.74
PL3HEXADECAN-1-OLA,B,C,D2UUU0.7
PL3HEXADECAN-1-OLA,B,C,D2UUV0.7
DEMDECYLOXY-METHANOLA1EK80.82
HND(4S)-nonane-1,4-diolA2KAR0.79
HND(4S)-nonane-1,4-diolA2KAS0.79
DE1DECAN-1-OLA1ZNL0.74
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1WT20.7
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7T0.7
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7U0.7
BNGB-NONYLGLUCOSIDEA3B440.76
BNGB-NONYLGLUCOSIDEA,B2QKS0.76
BNGB-NONYLGLUCOSIDEA1J4N0.76
BNGB-NONYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J
1RWT0.76
BNGB-NONYLGLUCOSIDEA,B1XME0.76
BNGB-NONYLGLUCOSIDEA,B1L9H0.76
BNGB-NONYLGLUCOSIDEB1LPA0.76
BNGB-NONYLGLUCOSIDEA3B450.76
BNGB-NONYLGLUCOSIDEA1YMG0.76
BNGB-NONYLGLUCOSIDEA2IC80.76
BNGB-NONYLGLUCOSIDEA,B1HZX0.76
BNGB-NONYLGLUCOSIDEA,B,C3EH40.76
BNGB-NONYLGLUCOSIDEA2O7L0.76
BNGB-NONYLGLUCOSIDEA,B1VGO0.76
BNGB-NONYLGLUCOSIDEA,B1EHK0.76
BNGB-NONYLGLUCOSIDEA,B,C3EH50.76
HSGoctyl alpha-L-altropyranosideA2O9D0.76
1DO1-DODECANOLA,Z2CFZ0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B1Y0S0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2B500.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNP0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2AWH0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNQ0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA3GZ90.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,D1QPF0.74
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2BAW0.74
ODIOCTANE-1,8-DIOLA2DM50.74
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.75
HTOHEPTANE-1,2,3-TRIOLA2PIL0.75
HTOHEPTANE-1,2,3-TRIOLA,B1U190.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.75
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.75
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.75
HTOHEPTANE-1,2,3-TRIOLA,B2G870.75
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.75
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.75
HTOHEPTANE-1,2,3-TRIOLA1KMO0.75
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.75
HTOHEPTANE-1,2,3-TRIOLA1AY20.75
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.75
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.75
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.75
HTOHEPTANE-1,2,3-TRIOLB2BF30.75
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.75
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.75
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.75
HTOHEPTANE-1,2,3-TRIOLA2HI20.75
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.75
OPMO1-PENTYL-MANNOSEA,B3GXY0.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ30.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZI0.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B2GMH0.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT10.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT30.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZJ0.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W
2A060.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2FBW0.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ40.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D2H890.7
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2H880.7
HSHoctyl beta-D-galactopyranosideA2O9D0.76
BOGB-OCTYLGLUCOSIDEA,B3E6L0.76
BOGB-OCTYLGLUCOSIDEA,B2RCU0.76
BOGB-OCTYLGLUCOSIDEA,B3GJC0.76
BOGB-OCTYLGLUCOSIDEA2QJU0.76
BOGB-OCTYLGLUCOSIDEA,B2DEB0.76
BOGB-OCTYLGLUCOSIDEA,B1EQG0.76
BOGB-OCTYLGLUCOSIDEA,B1LPB0.76
BOGB-OCTYLGLUCOSIDEA1IGX0.76
BOGB-OCTYLGLUCOSIDEA,B1M8D0.76
BOGB-OCTYLGLUCOSIDEA,B3E680.76
BOGB-OCTYLGLUCOSIDEA1AUA0.76
BOGB-OCTYLGLUCOSIDEA,B1K8Q0.76
BOGB-OCTYLGLUCOSIDEA2CMB0.76
BOGB-OCTYLGLUCOSIDEA2JAG0.76
BOGB-OCTYLGLUCOSIDEA,B3B6H0.76
BOGB-OCTYLGLUCOSIDEA1FX80.76
BOGB-OCTYLGLUCOSIDEA1C4O0.76
BOGB-OCTYLGLUCOSIDEA2EVU0.76
BOGB-OCTYLGLUCOSIDEA,B,C,D1LRT0.76
BOGB-OCTYLGLUCOSIDEA1ZYJ0.76
BOGB-OCTYLGLUCOSIDEA1ILZ0.76
BOGB-OCTYLGLUCOSIDEA1IM00.76
BOGB-OCTYLGLUCOSIDEA1W6K0.76
BOGB-OCTYLGLUCOSIDEA1D2M0.76
BOGB-OCTYLGLUCOSIDEX2FGQ0.76
BOGB-OCTYLGLUCOSIDEX2FSM0.76
BOGB-OCTYLGLUCOSIDEA2PV50.76
BOGB-OCTYLGLUCOSIDEA,B,C,D1PXX0.76
BOGB-OCTYLGLUCOSIDEA1FE20.76
BOGB-OCTYLGLUCOSIDEA3GD80.76
BOGB-OCTYLGLUCOSIDEA1U7G0.76
BOGB-OCTYLGLUCOSIDEA,B1Q4G0.76
BOGB-OCTYLGLUCOSIDEA3C020.76
BOGB-OCTYLGLUCOSIDEA2PTO0.76
BOGB-OCTYLGLUCOSIDEA,D1B4W0.76
BOGB-OCTYLGLUCOSIDEA,B1ECZ0.76
BOGB-OCTYLGLUCOSIDEA,B,C,D1C1J0.76
BOGB-OCTYLGLUCOSIDEA,B2R4J0.76
BOGB-OCTYLGLUCOSIDEA3B9Y0.76
BOGB-OCTYLGLUCOSIDEA2QB40.76
BOGB-OCTYLGLUCOSIDEA2QEI0.76
BOGB-OCTYLGLUCOSIDEA,B2QCU0.76
BOGB-OCTYLGLUCOSIDEA,B1Q7T0.76
BOGB-OCTYLGLUCOSIDEA,C,D,E,N,P,
Q,R
3H1H0.76
BOGB-OCTYLGLUCOSIDEA,C,D,E,N,P,
Q,R
3H1K0.76
BOGB-OCTYLGLUCOSIDEA,B2R450.76
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F1NKZ0.76
BOGB-OCTYLGLUCOSIDEA1W6J0.76
BOGB-OCTYLGLUCOSIDEX2FSL0.76
BOGB-OCTYLGLUCOSIDEA1QD50.76
BOGB-OCTYLGLUCOSIDEA,B,D,F,G,H,I1JMU0.76
BOGB-OCTYLGLUCOSIDEC,D,E1BCC0.76
BOGB-OCTYLGLUCOSIDEA,B2Z730.76
BOGB-OCTYLGLUCOSIDEA,B2R4E0.76
BOGB-OCTYLGLUCOSIDEA3B9W0.76
BOGB-OCTYLGLUCOSIDEC,D,E2BCC0.76
BOGB-OCTYLGLUCOSIDEA1IGZ0.76
BOGB-OCTYLGLUCOSIDEA2F950.76
BOGB-OCTYLGLUCOSIDEA1LDA0.76
BOGB-OCTYLGLUCOSIDEA3BIF0.76
BOGB-OCTYLGLUCOSIDEA,B1CQE0.76
BOGB-OCTYLGLUCOSIDEA,B1JWK0.76
BOGB-OCTYLGLUCOSIDEA1JGJ0.76
BOGB-OCTYLGLUCOSIDEA3F3A0.76
BOGB-OCTYLGLUCOSIDEA2GQ80.76
BOGB-OCTYLGLUCOSIDEA1H2S0.76
BOGB-OCTYLGLUCOSIDEA3F4I0.76
BOGB-OCTYLGLUCOSIDEA,B,C,D1DDX0.76
BOGB-OCTYLGLUCOSIDEA,D1M2Z0.76
BOGB-OCTYLGLUCOSIDEX2FST0.76
BOGB-OCTYLGLUCOSIDEA1XEZ0.76
BOGB-OCTYLGLUCOSIDEA3F4J0.76
BOGB-OCTYLGLUCOSIDEA,B2NS10.76
BOGB-OCTYLGLUCOSIDEA1ILD0.76
BOGB-OCTYLGLUCOSIDED,E,G1YK30.76
BOGB-OCTYLGLUCOSIDEP2OYU0.76
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H
3BKD0.76
BOGB-OCTYLGLUCOSIDEA3F3D0.76
BOGB-OCTYLGLUCOSIDEA2PTJ0.76
BOGB-OCTYLGLUCOSIDEA,B1OKE0.76
BOGB-OCTYLGLUCOSIDEA1NF80.76
BOGB-OCTYLGLUCOSIDEA2P4B0.76
BOGB-OCTYLGLUCOSIDEA,B1M9T0.76
BOGB-OCTYLGLUCOSIDEA2PKJ0.76
BOGB-OCTYLGLUCOSIDEL,M4RCR0.76
BOGB-OCTYLGLUCOSIDEA,B2R460.76
BOGB-OCTYLGLUCOSIDEA,B1HT50.76
BOGB-OCTYLGLUCOSIDEA,B2IWW0.76
BOGB-OCTYLGLUCOSIDEA2Q720.76
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F1IJD0.76
BOGB-OCTYLGLUCOSIDEA1ZZ20.76
BOGB-OCTYLGLUCOSIDEA2CMC0.76
BOGB-OCTYLGLUCOSIDEA,C,D,E,G,P,
Q,R,W
3CWB0.76
BOGB-OCTYLGLUCOSIDEA,B2BIF0.76
BOGB-OCTYLGLUCOSIDEA1LDI0.76
BOGB-OCTYLGLUCOSIDEA2A650.76
BOGB-OCTYLGLUCOSIDEA2O9G0.76
BOGB-OCTYLGLUCOSIDEA2JAF0.76
BOGB-OCTYLGLUCOSIDEA2PV80.76
BOGB-OCTYLGLUCOSIDEA3F480.76
BOGB-OCTYLGLUCOSIDEA,B1TCB0.76
BOGB-OCTYLGLUCOSIDEA,B,C,D2CZV0.76
BOGB-OCTYLGLUCOSIDEA,B1HT80.76
BOGB-OCTYLGLUCOSIDEA3DQB0.76
BOGB-OCTYLGLUCOSIDEP2OYE0.76
BOGB-OCTYLGLUCOSIDEA1DIY0.76
BOGB-OCTYLGLUCOSIDEA,B2AYL0.76
BOGB-OCTYLGLUCOSIDEA3F3E0.76
BOGB-OCTYLGLUCOSIDEA,B1VE60.76
BOGB-OCTYLGLUCOSIDEA2Q6H0.76
BOGB-OCTYLGLUCOSIDEA,B1I780.76
BOGB-OCTYLGLUCOSIDEA,B1PGE0.76
BOGB-OCTYLGLUCOSIDEA1P490.76
BOGB-OCTYLGLUCOSIDEA3GJD0.76
BOGB-OCTYLGLUCOSIDEA,B1PTH0.76
BOGB-OCTYLGLUCOSIDEA,B1CVU0.76
BOGB-OCTYLGLUCOSIDEA2GOU0.76
BOGB-OCTYLGLUCOSIDEA,B2OXL0.76
BOGB-OCTYLGLUCOSIDEA2CNE0.76
BOGB-OCTYLGLUCOSIDEA1NF90.76
BOGB-OCTYLGLUCOSIDEA,B1TCC0.76
BOGB-OCTYLGLUCOSIDEA1YC90.76
BOGB-OCTYLGLUCOSIDE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,P,Q,
S,T,U,W,X,Y,Z
1L6L0.76
BOGB-OCTYLGLUCOSIDEA,B1UUM0.76
BOGB-OCTYLGLUCOSIDEA,B1YZ40.76
BOGB-OCTYLGLUCOSIDEA1U670.76
BOGB-OCTYLGLUCOSIDEA3F3C0.76
BOGB-OCTYLGLUCOSIDEA,B1JWJ0.76
BOGB-OCTYLGLUCOSIDEX2FSO0.76
BOGB-OCTYLGLUCOSIDEA,B,C,F,H,I,
J,K
2HD00.76
BOGB-OCTYLGLUCOSIDEA1LDF0.76
BOGB-OCTYLGLUCOSIDEA2AA20.76
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F2G3N0.76
BOGB-OCTYLGLUCOSIDEA,B1EQH0.76
BOGB-OCTYLGLUCOSIDEA3B9Z0.76
BOGB-OCTYLGLUCOSIDEA2F930.76
BOGB-OCTYLGLUCOSIDEA2NPQ0.76
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA1UWF0.7
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA,B1TR70.7
F09NONAN-1-OLA,C2DWD0.74
F09NONAN-1-OLB,C1R3L0.74
F09NONAN-1-OLC,H1R3I0.74
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.74
F09NONAN-1-OLC2DWE0.74
F09NONAN-1-OLA,C2HVJ0.74
F09NONAN-1-OLB,C1R3J0.74
F09NONAN-1-OLC1K4D0.74
F09NONAN-1-OLA,C1K4C0.74
F09NONAN-1-OLC2ATK0.74
F09NONAN-1-OLA,C1ZWI0.74
F09NONAN-1-OLA1ZNK0.74
F09NONAN-1-OLB,C1S5H0.74
F09NONAN-1-OLA,C2HVK0.74
F09NONAN-1-OLA,C2P7T0.74