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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02385577

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
A2K8T0.73
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8U0.73
BOGB-OCTYLGLUCOSIDEA,B3E6L0.74
BOGB-OCTYLGLUCOSIDEA,B2RCU0.74
BOGB-OCTYLGLUCOSIDEA,B3GJC0.74
BOGB-OCTYLGLUCOSIDEA2QJU0.74
BOGB-OCTYLGLUCOSIDEA,B2DEB0.74
BOGB-OCTYLGLUCOSIDEA,B1EQG0.74
BOGB-OCTYLGLUCOSIDEA,B1LPB0.74
BOGB-OCTYLGLUCOSIDEA1IGX0.74
BOGB-OCTYLGLUCOSIDEA,B1M8D0.74
BOGB-OCTYLGLUCOSIDEA,B3E680.74
BOGB-OCTYLGLUCOSIDEA1AUA0.74
BOGB-OCTYLGLUCOSIDEA,B1K8Q0.74
BOGB-OCTYLGLUCOSIDEA2CMB0.74
BOGB-OCTYLGLUCOSIDEA2JAG0.74
BOGB-OCTYLGLUCOSIDEA,B3B6H0.74
BOGB-OCTYLGLUCOSIDEA1FX80.74
BOGB-OCTYLGLUCOSIDEA1C4O0.74
BOGB-OCTYLGLUCOSIDEA2EVU0.74
BOGB-OCTYLGLUCOSIDEA,B,C,D1LRT0.74
BOGB-OCTYLGLUCOSIDEA1ZYJ0.74
BOGB-OCTYLGLUCOSIDEA1ILZ0.74
BOGB-OCTYLGLUCOSIDEA1IM00.74
BOGB-OCTYLGLUCOSIDEA1W6K0.74
BOGB-OCTYLGLUCOSIDEA1D2M0.74
BOGB-OCTYLGLUCOSIDEX2FGQ0.74
BOGB-OCTYLGLUCOSIDEX2FSM0.74
BOGB-OCTYLGLUCOSIDEA2PV50.74
BOGB-OCTYLGLUCOSIDEA,B,C,D1PXX0.74
BOGB-OCTYLGLUCOSIDEA1FE20.74
BOGB-OCTYLGLUCOSIDEA3GD80.74
BOGB-OCTYLGLUCOSIDEA1U7G0.74
BOGB-OCTYLGLUCOSIDEA,B1Q4G0.74
BOGB-OCTYLGLUCOSIDEA3C020.74
BOGB-OCTYLGLUCOSIDEA2PTO0.74
BOGB-OCTYLGLUCOSIDEA,D1B4W0.74
BOGB-OCTYLGLUCOSIDEA,B1ECZ0.74
BOGB-OCTYLGLUCOSIDEA,B,C,D1C1J0.74
BOGB-OCTYLGLUCOSIDEA,B2R4J0.74
BOGB-OCTYLGLUCOSIDEA3B9Y0.74
BOGB-OCTYLGLUCOSIDEA2QB40.74
BOGB-OCTYLGLUCOSIDEA2QEI0.74
BOGB-OCTYLGLUCOSIDEA,B2QCU0.74
BOGB-OCTYLGLUCOSIDEA,B1Q7T0.74
BOGB-OCTYLGLUCOSIDEA,C,D,E,N,P,
Q,R
3H1H0.74
BOGB-OCTYLGLUCOSIDEA,C,D,E,N,P,
Q,R
3H1K0.74
BOGB-OCTYLGLUCOSIDEA,B2R450.74
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F1NKZ0.74
BOGB-OCTYLGLUCOSIDEA1W6J0.74
BOGB-OCTYLGLUCOSIDEX2FSL0.74
BOGB-OCTYLGLUCOSIDEA1QD50.74
BOGB-OCTYLGLUCOSIDEA,B,D,F,G,H,I1JMU0.74
BOGB-OCTYLGLUCOSIDEC,D,E1BCC0.74
BOGB-OCTYLGLUCOSIDEA,B2Z730.74
BOGB-OCTYLGLUCOSIDEA,B2R4E0.74
BOGB-OCTYLGLUCOSIDEA3B9W0.74
BOGB-OCTYLGLUCOSIDEC,D,E2BCC0.74
BOGB-OCTYLGLUCOSIDEA1IGZ0.74
BOGB-OCTYLGLUCOSIDEA2F950.74
BOGB-OCTYLGLUCOSIDEA1LDA0.74
BOGB-OCTYLGLUCOSIDEA3BIF0.74
BOGB-OCTYLGLUCOSIDEA,B1CQE0.74
BOGB-OCTYLGLUCOSIDEA,B1JWK0.74
BOGB-OCTYLGLUCOSIDEA1JGJ0.74
BOGB-OCTYLGLUCOSIDEA3F3A0.74
BOGB-OCTYLGLUCOSIDEA2GQ80.74
BOGB-OCTYLGLUCOSIDEA1H2S0.74
BOGB-OCTYLGLUCOSIDEA3F4I0.74
BOGB-OCTYLGLUCOSIDEA,B,C,D1DDX0.74
BOGB-OCTYLGLUCOSIDEA,D1M2Z0.74
BOGB-OCTYLGLUCOSIDEX2FST0.74
BOGB-OCTYLGLUCOSIDEA1XEZ0.74
BOGB-OCTYLGLUCOSIDEA3F4J0.74
BOGB-OCTYLGLUCOSIDEA,B2NS10.74
BOGB-OCTYLGLUCOSIDEA1ILD0.74
BOGB-OCTYLGLUCOSIDED,E,G1YK30.74
BOGB-OCTYLGLUCOSIDEP2OYU0.74
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H
3BKD0.74
BOGB-OCTYLGLUCOSIDEA3F3D0.74
BOGB-OCTYLGLUCOSIDEA2PTJ0.74
BOGB-OCTYLGLUCOSIDEA,B1OKE0.74
BOGB-OCTYLGLUCOSIDEA1NF80.74
BOGB-OCTYLGLUCOSIDEA2P4B0.74
BOGB-OCTYLGLUCOSIDEA,B1M9T0.74
BOGB-OCTYLGLUCOSIDEA2PKJ0.74
BOGB-OCTYLGLUCOSIDEL,M4RCR0.74
BOGB-OCTYLGLUCOSIDEA,B2R460.74
BOGB-OCTYLGLUCOSIDEA,B1HT50.74
BOGB-OCTYLGLUCOSIDEA,B2IWW0.74
BOGB-OCTYLGLUCOSIDEA2Q720.74
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F1IJD0.74
BOGB-OCTYLGLUCOSIDEA1ZZ20.74
BOGB-OCTYLGLUCOSIDEA2CMC0.74
BOGB-OCTYLGLUCOSIDEA,C,D,E,G,P,
Q,R,W
3CWB0.74
BOGB-OCTYLGLUCOSIDEA,B2BIF0.74
BOGB-OCTYLGLUCOSIDEA1LDI0.74
BOGB-OCTYLGLUCOSIDEA2A650.74
BOGB-OCTYLGLUCOSIDEA2O9G0.74
BOGB-OCTYLGLUCOSIDEA2JAF0.74
BOGB-OCTYLGLUCOSIDEA2PV80.74
BOGB-OCTYLGLUCOSIDEA3F480.74
BOGB-OCTYLGLUCOSIDEA,B1TCB0.74
BOGB-OCTYLGLUCOSIDEA,B,C,D2CZV0.74
BOGB-OCTYLGLUCOSIDEA,B1HT80.74
BOGB-OCTYLGLUCOSIDEA3DQB0.74
BOGB-OCTYLGLUCOSIDEP2OYE0.74
BOGB-OCTYLGLUCOSIDEA1DIY0.74
BOGB-OCTYLGLUCOSIDEA,B2AYL0.74
BOGB-OCTYLGLUCOSIDEA3F3E0.74
BOGB-OCTYLGLUCOSIDEA,B1VE60.74
BOGB-OCTYLGLUCOSIDEA2Q6H0.74
BOGB-OCTYLGLUCOSIDEA,B1I780.74
BOGB-OCTYLGLUCOSIDEA,B1PGE0.74
BOGB-OCTYLGLUCOSIDEA1P490.74
BOGB-OCTYLGLUCOSIDEA3GJD0.74
BOGB-OCTYLGLUCOSIDEA,B1PTH0.74
BOGB-OCTYLGLUCOSIDEA,B1CVU0.74
BOGB-OCTYLGLUCOSIDEA2GOU0.74
BOGB-OCTYLGLUCOSIDEA,B2OXL0.74
BOGB-OCTYLGLUCOSIDEA2CNE0.74
BOGB-OCTYLGLUCOSIDEA1NF90.74
BOGB-OCTYLGLUCOSIDEA,B1TCC0.74
BOGB-OCTYLGLUCOSIDEA1YC90.74
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
1L6L0.74
BOGB-OCTYLGLUCOSIDEA,B1UUM0.74
BOGB-OCTYLGLUCOSIDEA,B1YZ40.74
BOGB-OCTYLGLUCOSIDEA1U670.74
BOGB-OCTYLGLUCOSIDEA3F3C0.74
BOGB-OCTYLGLUCOSIDEA,B1JWJ0.74
BOGB-OCTYLGLUCOSIDEX2FSO0.74
BOGB-OCTYLGLUCOSIDEA,B,C,F,H,I,
J,K
2HD00.74
BOGB-OCTYLGLUCOSIDEA1LDF0.74
BOGB-OCTYLGLUCOSIDEA2AA20.74
BOGB-OCTYLGLUCOSIDEA,B,C,D,E,F2G3N0.74
BOGB-OCTYLGLUCOSIDEA,B1EQH0.74
BOGB-OCTYLGLUCOSIDEA3B9Z0.74
BOGB-OCTYLGLUCOSIDEA2F930.74
BOGB-OCTYLGLUCOSIDEA2NPQ0.74
OPMO1-PENTYL-MANNOSEA,B3GXY0.71
HSHoctyl beta-D-galactopyranosideA2O9D0.74
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ30.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZI0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B2GMH0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT10.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT30.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZJ0.71
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
2A060.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2FBW0.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ40.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D2H890.71
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2H880.71
BGLB-2-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJY0.72
BGLB-2-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.72
BGLB-2-OCTYLGLUCOSIDEA,B1L9N0.72
BGLB-2-OCTYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.72
BGLB-2-OCTYLGLUCOSIDEA1TAU0.72
BGLB-2-OCTYLGLUCOSIDEB1RC20.72
BGLB-2-OCTYLGLUCOSIDEC,H,L,M1EYS0.72
BGLB-2-OCTYLGLUCOSIDEA,B3CAP0.72
BGLB-2-OCTYLGLUCOSIDEA1TAQ0.72
BGLB-2-OCTYLGLUCOSIDEA,B,C,E,F,G2ABM0.72
DEMDECYLOXY-METHANOLA1EK80.71
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA1UWF0.71
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA,B1TR70.71
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B1Y0S0.76
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2B500.76
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNP0.76
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2AWH0.76
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNQ0.76
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA3GZ90.76
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,D1QPF0.76
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2BAW0.76
HSGoctyl alpha-L-altropyranosideA2O9D0.74
BNGB-NONYLGLUCOSIDEA3B440.74
BNGB-NONYLGLUCOSIDEA,B2QKS0.74
BNGB-NONYLGLUCOSIDEA1J4N0.74
BNGB-NONYLGLUCOSIDEA,B,C,D,E,F,
G,H,I,J
1RWT0.74
BNGB-NONYLGLUCOSIDEA,B1XME0.74
BNGB-NONYLGLUCOSIDEA,B1L9H0.74
BNGB-NONYLGLUCOSIDEB1LPA0.74
BNGB-NONYLGLUCOSIDEA3B450.74
BNGB-NONYLGLUCOSIDEA1YMG0.74
BNGB-NONYLGLUCOSIDEA2IC80.74
BNGB-NONYLGLUCOSIDEA,B1HZX0.74
BNGB-NONYLGLUCOSIDEA,B,C3EH40.74
BNGB-NONYLGLUCOSIDEA2O7L0.74
BNGB-NONYLGLUCOSIDEA,B1VGO0.74
BNGB-NONYLGLUCOSIDEA,B1EHK0.74
BNGB-NONYLGLUCOSIDEA,B,C3EH50.74
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1WT20.71
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7T0.71
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7U0.71