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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02446274

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJE0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJB0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJD0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.75
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PUN0.83
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B1Z5N0.83
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PYW0.83
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.77
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A1J2Z0.74
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B1VA50.74
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B,C,D2VT40.74
MA24-S-methyl-4-thio-alpha-D-glucopyranoseA1JFH0.77
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.72
TMR2,6-DIDEOXY-4-THIOMETHYL-BETA-D-
RIBOHEXOPYRANOSIDE
A,B1PIK0.71
LRH6-DEOXY-BETA-L-FRUCTOFURANOSEA2UYT0.72
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA,B3EJW0.71
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA1TJY0.71
WZ1methyl 3-S-alpha-D-mannopyranosyl-
3-thio-alpha-D-mannopyranoside
A3BVT0.73
FSA1-S-(carboxymethyl)-1-thio-beta-
D-fructopyranose
A,B3DJE0.73
TCBTHIOCELLOBIOSEA2O9R0.74
TCBTHIOCELLOBIOSEA1IEX0.74
BGSBETA-D-GLUCOPYRANOSYLSULFONYLETHANEA2B5Z0.72
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.72
SMDMETHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-
2-THIO-ALPHA-D-MANNOPYRANOSIDE
A1X9D0.73
TDGTHIODIGALACTOSIDEA,B1PV70.71
TDGTHIODIGALACTOSIDEA,B1A780.71
TDGTHIODIGALACTOSIDED,E,F,G,H1LT50.71
TDGTHIODIGALACTOSIDEA,B,C,D,E1MUQ0.71