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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02380222

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FSA1-S-(carboxymethyl)-1-thio-beta-
D-fructopyranose
A,B3DJE0.71
NK2(1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-
7,8-DIOL
A2OW70.72
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A1J2Z0.78
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B1VA50.78
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B,C,D2VT40.78
GLT5-DEOXY-5-THIO-ALPHA-D-GLUCOSEA,B1XLI0.84
TDGTHIODIGALACTOSIDEA,B1PV70.78
TDGTHIODIGALACTOSIDEA,B1A780.78
TDGTHIODIGALACTOSIDED,E,F,G,H1LT50.78
TDGTHIODIGALACTOSIDEA,B,C,D,E1MUQ0.78
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.88
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,D1OVW0.72
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-GLUCOPYRANOSEA1F9O0.72
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1OCJ0.72
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1UOZ0.72
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1H5V0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJE0.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJB0.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJD0.8
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.8
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.88
BGSBETA-D-GLUCOPYRANOSYLSULFONYLETHANEA2B5Z0.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.81
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.81
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.81
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.81
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.81
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.81
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.81
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.81
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.81
MA11,4-dithio-alpha-D-glucopyranoseA1JFH0.72
TCBTHIOCELLOBIOSEA2O9R0.72
TCBTHIOCELLOBIOSEA1IEX0.72