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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01876465

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BGSBETA-D-GLUCOPYRANOSYLSULFONYLETHANEA2B5Z0.82
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A1J2Z0.85
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B1VA50.85
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B,C,D2VT40.85
TDGTHIODIGALACTOSIDEA,B1PV70.85
TDGTHIODIGALACTOSIDEA,B1A780.85
TDGTHIODIGALACTOSIDED,E,F,G,H1LT50.85
TDGTHIODIGALACTOSIDEA,B,C,D,E1MUQ0.85
GLT5-DEOXY-5-THIO-ALPHA-D-GLUCOSEA,B1XLI0.91
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.8
MA24-S-methyl-4-thio-alpha-D-glucopyranoseA1JFH0.75
WZ1methyl 3-S-alpha-D-mannopyranosyl-
3-thio-alpha-D-mannopyranoside
A3BVT0.74
NK2(1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-
7,8-DIOL
A2OW70.72
GS11-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.76
NK1(1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-
5,7,8-TRIOL
A2OW60.76
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1F9O0.78
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1OCJ0.78
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1UOZ0.78
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1H5V0.78
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.88
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.88
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.88
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.88
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.88
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.88
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.88
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.88
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.88
DP51,4-DIMERCAPTO-ALPHA-D-GLUCOPYRANOSYL-
(1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOPYRANOSYL-
(1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOPYRANOSE
A,B,C,D1OVW0.78
SMDMETHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-
2-THIO-ALPHA-D-MANNOPYRANOSIDE
A1X9D0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJE0.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJB0.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJD0.87
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.87
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.8
TCBTHIOCELLOBIOSEA2O9R0.78
TCBTHIOCELLOBIOSEA1IEX0.78
MA11,4-dithio-alpha-D-glucopyranoseA1JFH0.78
FSA1-S-(carboxymethyl)-1-thio-beta-
D-fructopyranose
A,B3DJE0.77