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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02435020

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
A1J2Z0.73
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B1VA50.73
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B,C,D2VT40.73
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJE0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJB0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJD0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.74
MA24-S-methyl-4-thio-alpha-D-glucopyranoseA1JFH0.73
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.75
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.75
WZ1methyl 3-S-alpha-D-mannopyranosyl-
3-thio-alpha-D-mannopyranoside
A3BVT0.75
10Mdecyl 4-O-alpha-D-glucopyranosyl-
1-thio-beta-D-glucopyranoside
A3C5T0.7
10Mdecyl 4-O-alpha-D-glucopyranosyl-
1-thio-beta-D-glucopyranoside
A,B3C590.7
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.81
TDGTHIODIGALACTOSIDEA,B1PV70.7
TDGTHIODIGALACTOSIDEA,B1A780.7
TDGTHIODIGALACTOSIDED,E,F,G,H1LT50.7
TDGTHIODIGALACTOSIDEA,B,C,D,E1MUQ0.7
WZ2methyl alpha-D-mannopyranosyl-(1-
>3)-[alpha-D-mannopyranosyl-(1-
>6)]-3-thio-alpha-D-mannopyranoside
A3BVU0.7
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.81
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PUN0.85
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B1Z5N0.85
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PYW0.85
TCBTHIOCELLOBIOSEA2O9R0.73
TCBTHIOCELLOBIOSEA1IEX0.73
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA,B3EJW0.73
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA1TJY0.73
X4Sbeta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranose
A3CUI0.71
BGSBETA-D-GLUCOPYRANOSYLSULFONYLETHANEA2B5Z0.7
SMDMETHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-
2-THIO-ALPHA-D-MANNOPYRANOSIDE
A1X9D0.75
FSA1-S-(carboxymethyl)-1-thio-beta-
D-fructopyranose
A,B3DJE0.72