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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00550478

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TDGTHIODIGALACTOSIDEA,B1PV70.74
TDGTHIODIGALACTOSIDEA,B1A780.74
TDGTHIODIGALACTOSIDED,E,F,G,H1LT50.74
TDGTHIODIGALACTOSIDEA,B,C,D,E1MUQ0.74
NK1(1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-
5,7,8-TRIOL
A2OW60.72
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A1J2Z0.77
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B1VA50.77
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B,C,D2VT40.77
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.87
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.87
GLT5-DEOXY-5-THIO-ALPHA-D-GLUCOSEA,B1XLI0.79
BGSBETA-D-GLUCOPYRANOSYLSULFONYLETHANEA2B5Z0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJE0.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJB0.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJD0.79
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.79
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.8
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.8
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.8
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.8
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.8
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.8
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.8
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.8
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.8