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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201901

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VAMMETHYL 4-O-(4-THIO-BETA-D-GLUCOPYRANOSYL)-
BETA-D-GLUCOPYRANOSIDE
A2VI00.74
IN1PROPIONIC ACID 2,2-DIHYDROXY-3-
(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER
A,B4OVW0.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.74
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.74
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.74
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.74
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.74
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.74
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.74
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.74
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.74
GS11-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.79
FSA1-S-(carboxymethyl)-1-thio-beta-
D-fructopyranose
A,B3DJE0.79
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A,B1OCB0.74
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A1P6W0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJE0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJB0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJD0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.72
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1F9O0.77
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1OCJ0.77
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1UOZ0.77
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1H5V0.77
MA11,4-dithio-alpha-D-glucopyranoseA1JFH0.77
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A1J2Z0.71
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B1VA50.71
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B,C,D2VT40.71
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKH0.72
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKI0.72
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OCJ0.74
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1JFH0.74
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1H5V0.74
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OC70.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOD0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OCJ0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UP30.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1Q2E0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QK20.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1P6W0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1E5J0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1FCE0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOG0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA2QNO0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1GZ10.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QM50.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1H5V0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1G9J0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC50.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UOZ0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QJW0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC70.75
TDGTHIODIGALACTOSIDEA,B1PV70.71
TDGTHIODIGALACTOSIDEA,B1A780.71
TDGTHIODIGALACTOSIDED,E,F,G,H1LT50.71
TDGTHIODIGALACTOSIDEA,B,C,D,E1MUQ0.71