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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02442918

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1WT20.72
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7T0.72
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7U0.72
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A,B1OCB0.7
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A1P6W0.7
VAMMETHYL 4-O-(4-THIO-BETA-D-GLUCOPYRANOSYL)-
BETA-D-GLUCOPYRANOSIDE
A2VI00.7
GU82,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRANOSEA,B,D,I2B5T0.71
GU82,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRANOSEH,I1TB60.71
GU52,3-DI-O-METHYL-6-O-SULFONATO-ALPHA-
D-GLUCOPYRANOSE
A,B,D,I2B5T0.73
GU52,3-DI-O-METHYL-6-O-SULFONATO-ALPHA-
D-GLUCOPYRANOSE
H,I1TB60.73
GU3methyl 3-O-methyl-2,6-di-O-sulfo-
alpha-D-glucopyranoside
H,I1TB60.74
GU3methyl 3-O-methyl-2,6-di-O-sulfo-
alpha-D-glucopyranoside
A,B,D,I2B5T0.74
OPMO1-PENTYL-MANNOSEA,B3GXY0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ30.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZI0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B2GMH0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT10.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT30.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZJ0.72
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
2A060.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2FBW0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ40.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D2H890.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2H880.72
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OCJ0.7
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1JFH0.7
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1H5V0.7
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OC70.7
SUCSUCROSEA,C,D,E,L,N,
O,P,W
3CX50.73
SUCSUCROSEA,B1JCQ0.73
SUCSUCROSEA1ZS20.73
SUCSUCROSEA,B,C,D,E,F2HVH0.73
SUCSUCROSEA,B2IEJ0.73
SUCSUCROSEA2C560.73
SUCSUCROSEA,D2NY60.73
SUCSUCROSEA,B,C2HRR0.73
SUCSUCROSEA,C1XC90.73
SUCSUCROSEP,Q,R1A0T0.73
SUCSUCROSEA,B2BE20.73
SUCSUCROSEA1MW30.73
SUCSUCROSEA,B,C,D1MV80.73
SUCSUCROSEA1MW20.73
SUCSUCROSEA,C2HHV0.73
SUCSUCROSEA1NK40.73
SUCSUCROSEA,B,C,D3H830.73
SUCSUCROSEA1L3T0.73
SUCSUCROSEA,D2NY10.73
SUCSUCROSEA2QQV0.73
SUCSUCROSEA,C2HHX0.73
SUCSUCROSEA1NJY0.73
SUCSUCROSEA2GUP0.73
SUCSUCROSEA,B,P2H6F0.73
SUCSUCROSEA,C,D,E,L,N,
O,P,W
3CXH0.73
SUCSUCROSEA,C1U490.73
SUCSUCROSEA,B,C1V8X0.73
SUCSUCROSEA,B,C1IW10.73
SUCSUCROSEA,B1MJT0.73
SUCSUCROSEA,C,D1RZG0.73
SUCSUCROSEA,B,D,E2HVI0.73
SUCSUCROSEA,C2HW30.73
SUCSUCROSEA,B1EX20.73
SUCSUCROSEA1NKB0.73
SUCSUCROSEA,B1X3W0.73
SUCSUCROSEA,B1M980.73
SUCSUCROSEA1NKC0.73
SUCSUCROSEA,D2NY30.73
SUCSUCROSEA,B3HP80.73
SUCSUCROSEA,I1X3Z0.73
SUCSUCROSEA1NKE0.73
SUCSUCROSEA,B1YNP0.73
SUCSUCROSEA1L5U0.73
SUCSUCROSEA,B2HHS0.73
SUCSUCROSEA,B1FE40.73
SUCSUCROSEA,B1L0G0.73
SUCSUCROSEA1L3U0.73
SUCSUCROSEA2OXB0.73
SUCSUCROSEA,B,C1IW00.73
SUCSUCROSEA,B1LD80.73
SUCSUCROSEB1MZC0.73
SUCSUCROSEA,B2GDU0.73
SUCSUCROSEA2ADD0.73
SUCSUCROSE11R1A0.73
SUCSUCROSEA1JJ00.73
SUCSUCROSEB1S630.73
SUCSUCROSEA,B,C,D2NXZ0.73
SUCSUCROSEA1TJ40.73
SUCSUCROSEA,D2NY40.73
SUCSUCROSEA,C1OFS0.73
SUCSUCROSEA,C2HHU0.73
SUCSUCROSEA,B1UC20.73
SUCSUCROSEA1NK90.73
SUCSUCROSEA,C1UA00.73
SUCSUCROSEA1YLJ0.73
SUCSUCROSEA2QQU0.73
SUCSUCROSEA,B1YNQ0.73
SUCSUCROSEA1L3V0.73
SUCSUCROSEA,B1TN60.73
SUCSUCROSEA1NJZ0.73
SUCSUCROSEA,B,C,D1MUU0.73
SUCSUCROSEA1NK60.73
SUCSUCROSEA2DVC0.73
SUCSUCROSEA1QZ60.73
SUCSUCROSEA1MW10.73
SUCSUCROSEA,B,C,D,E,F2HHW0.73
SUCSUCROSEB1LD70.73
SUCSUCROSEA1NK80.73
SUCSUCROSEA1NK70.73
SUCSUCROSEP,Q,R1OH20.73
SUCSUCROSEA,C2HHT0.73
SUCSUCROSEA,B,P2H6H0.73
SUCSUCROSEA,B,C,D,E,F2HRQ0.73
SUCSUCROSEB,P2H6I0.73
SUCSUCROSEA,B2HHQ0.73
SUCSUCROSEB,P2H6G0.73
SUCSUCROSEA,C1U450.73
SUCSUCROSEA1PT20.73
SUCSUCROSEA1JGI0.73
SUCSUCROSEA1NK00.73
SUCSUCROSEA,B1FE00.73
SUCSUCROSEA,B,C,D,E,F1W2T0.73
SUCSUCROSEA3CZK0.73
SUCSUCROSEA,C1U470.73
SUCSUCROSEA,B1GNX0.73
SUCSUCROSEA,B2PWE0.73
SUCSUCROSEA1NJX0.73
SUCSUCROSEA1YLP0.73
SUCSUCROSEA2QQW0.73
SUCSUCROSEA,B1OB20.73
SUCSUCROSEA,C1U480.73
SUCSUCROSEA1L3S0.73
SUCSUCROSEB1SA40.73
SUCSUCROSEA1TJ50.73
SUCSUCROSEA,B2I5J0.73
SUCSUCROSEA1NJW0.73
SUCSUCROSEA,C1U4B0.73
SUCSUCROSEA,B1FEE0.73
SUCSUCROSEG,H2NY50.73
SUCSUCROSEA,B2PR10.73
SUCSUCROSEB3E370.73
SUCSUCROSEA,B2HDS0.73
SUCSUCROSEA1NK50.73
SUCSUCROSEA1YLT0.73
SUCSUCROSEA,B,C,D,E,F,
G,H,I
1XLT0.73
SUCSUCROSEA,D2NY20.73
SCRSUCROSE OCTASULFATEA2V8E0.77
SCRSUCROSE OCTASULFATEA,B,C,D,E,F,
G,H
1AFC0.77
SCRSUCROSE OCTASULFATEA2P390.77
SCRSUCROSE OCTASULFATEB,D3CU10.77
SCRSUCROSE OCTASULFATEA2UWN0.77
SCRSUCROSE OCTASULFATEA2UUS0.77
SCRSUCROSE OCTASULFATEA,B2V5E0.77
GU92,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRANOSEH,I1TB60.71
GU92,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRANOSEA,B,D,I2B5T0.71
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA1UWF0.72
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA,B1TR70.72
SMSSULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-
4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER
A1EOU0.77
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B1Y0S0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2B500.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNP0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2AWH0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNQ0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA3GZ90.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,D1QPF0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2BAW0.7