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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00569829

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A1J2Z0.75
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B1VA50.75
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B,C,D2VT40.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.78
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.78
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.78
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.78
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.78
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.78
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.78
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.78
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.78
GLT5-DEOXY-5-THIO-ALPHA-D-GLUCOSEA,B1XLI0.77
TDGTHIODIGALACTOSIDEA,B1PV70.72
TDGTHIODIGALACTOSIDEA,B1A780.72
TDGTHIODIGALACTOSIDED,E,F,G,H1LT50.72
TDGTHIODIGALACTOSIDEA,B,C,D,E1MUQ0.72
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.89
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PUN0.71
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B1Z5N0.71
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PYW0.71
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJE0.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJB0.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJD0.77
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.77
BGSBETA-D-GLUCOPYRANOSYLSULFONYLETHANEA2B5Z0.73
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.89