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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02450755

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DOM2'-DEOXYMALTOSEA1FA20.72
DOM2'-DEOXYMALTOSEA1BYD0.72
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL		A1J2Z0.89
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL		A,B1VA50.89
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL		A,B,C,D2VT40.89
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE		A,B1OCB0.7
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE		A1P6W0.7
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1F9O0.79
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1OCJ0.79
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1UOZ0.79
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1H5V0.79
WZ2methyl alpha-D-mannopyranosyl-(1-
>3)-[alpha-D-mannopyranosyl-(1-
>6)]-3-thio-alpha-D-mannopyranoside		A3BVU0.81
2FL2-FLUORO-2-DEOXY-LACTOSEI,J,K,L,M,N,
O,P		1JYZ0.7
2FL2-FLUORO-2-DEOXY-LACTOSEA,B,C,D,E,F,
G,H		1JYY0.7
TRETREHALOSEA,B1V6A0.72
TRETREHALOSEA2BXY0.72
TRETREHALOSEA,B3FL30.72
TRETREHALOSEX2EBF0.72
TRETREHALOSEA2BY30.72
TRETREHALOSEA2BHY0.72
TRETREHALOSEA2BXZ0.72
TRETREHALOSEA,B,C3CXA0.72
TRETREHALOSEA2BY00.72
TRETREHALOSEA1EU80.72
TRETREHALOSEA,B,P,Q2E500.72
TRETREHALOSEA,B3FL10.72
TRETREHALOSEX2EBH0.72
TRETREHALOSEA1J1M0.72
TRETREHALOSEA2B1Q0.72
TRETREHALOSEA2BY10.72
TRETREHALOSEC1NI60.72
TRETREHALOSEA2DXY0.72
TRETREHALOSEA,B2E4P0.72
TRETREHALOSEA,D2CY60.72
TRETREHALOSEA2BY20.72
TRETREHALOSEA1F0P0.72
TRETREHALOSEA,B,C,D2Z3G0.72
TRETREHALOSEA,B,C,D1TEX0.72
TRETREHALOSEA,B,C,D2FPD0.72
XLMMETHYL 3-O-BETA-D-XYLOPYRANOSYL-
ALPHA-D-MANNOPYRANOSIDE		A,B2BMZ0.71
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,D1OVW0.88
WZ1methyl 3-S-alpha-D-mannopyranosyl-
3-thio-alpha-D-mannopyranoside		A3BVT0.86
MABMANNOBIOSEA1QNR0.72
MABMANNOBIOSEA2VX70.72
MA11,4-dithio-alpha-D-glucopyranoseA1JFH0.79
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.92
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.92
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.92
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.92
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.92
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.92
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.92
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.92
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.92
LBTLACTOSEA,B,C2EAK0.72
LBTLACTOSEA1W8O0.72
LBTLACTOSEA2ILV0.72
LBTLACTOSEA2YVV0.72
LBTLACTOSEA2IHZ0.72
LBTLACTOSEA2Z4T0.72
LBTLACTOSEA1W3A0.72
LBTLACTOSEA2H4I0.72
LBTLACTOSEA,B,C,D2PEL0.72
WZ3methyl alpha-D-mannopyranosyl-(1-
>3)-[6-thio-alpha-D-mannopyranosyl-
(1->6)]-beta-D-mannopyranoside		A3BVV0.73
FSA1-S-(carboxymethyl)-1-thio-beta-
D-fructopyranose		A,B3DJE0.81
TDGTHIODIGALACTOSIDEA,B1PV71
TDGTHIODIGALACTOSIDEA,B1A781
TDGTHIODIGALACTOSIDED,E,F,G,H1LT51
TDGTHIODIGALACTOSIDEA,B,C,D,E1MUQ1
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H		3EJE0.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H		3EJB0.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H		3EJD0.91
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.91
VAMMETHYL 4-O-(4-THIO-BETA-D-GLUCOPYRANOSYL)-
BETA-D-GLUCOPYRANOSIDE		A2VI00.78
MDMMETHYL-O3-(ALPHA-D-MANNOSE)-ALPHA-
D-MANNOSE		A,C1NIV0.71
MDMMETHYL-O3-(ALPHA-D-MANNOSE)-ALPHA-
D-MANNOSE		A,B,C,D2EF60.71
FFC2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDEA1E0V0.7
FFC2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDEA5A3H0.7
GS11-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.81
M13METHYL 3-O-ALPHA-D-MANNOPYRANOSYL-
BETA-D-ALTROPYRANOSIDE		A,B,C,D2P370.71
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT		A1TQS0.74
GLT5-DEOXY-5-THIO-ALPHA-D-GLUCOSEA,B1XLI0.84
LATLACTOSEA1GZ90.72
LATLACTOSEA,B1O7O0.72
LATLACTOSEA1DLL0.72
LATLACTOSEA,B,C,D1V000.72
LATLACTOSEA,B,C,D1JYN0.72
LATLACTOSEA1Z3V0.72
LATLACTOSEA2EUM0.72
LATLACTOSEA1IS40.72
LATLACTOSEA1SX60.72
LATLACTOSEA3CA40.72
LATLACTOSEA,B1VZU0.72
LATLACTOSEA,B1MS00.72
LATLACTOSEA,B,C,D1RIT0.72
LATLACTOSEA1GZC0.72
LATLACTOSEA2EVD0.72
LATLACTOSEA,B2ZGM0.72
LATLACTOSEA,B1IT00.72
LATLACTOSEA,B1GWV0.72
LATLACTOSEA1SE40.72
LATLACTOSEA1KNM0.72
LATLACTOSEA,B2D6M0.72
LATLACTOSEA,B2ZGO0.72
LATLACTOSEA,B1MS90.72
LATLACTOSEA1ZJ00.72
LATLACTOSEA2YXS0.72
LATLACTOSEA,B1W6O0.72
LATLACTOSEA,B1PUU0.72
LATLACTOSEA2IY80.72
LATLACTOSEA2EAE0.72
LATLACTOSEA1IS30.72
LATLACTOSEA,B,C,D,E,F1SFY0.72
LATLACTOSEA,B,C,D2PEL0.72
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.71
NK1(1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-
5,7,8-TRIOL		A2OW60.71
TM6THIO-MALTOHEXAOSEA8CGT0.74
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE		A1OCJ0.7
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE		A1JFH0.7
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE		A1H5V0.7
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE		A1OC70.7
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT		A1TQT0.74
X5Sbeta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranose		A3CUJ0.72
SMDMETHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-
2-THIO-ALPHA-D-MANNOPYRANOSIDE		A1X9D0.86
MA24-S-methyl-4-thio-alpha-D-glucopyranoseA1JFH0.79
TMR2,6-DIDEOXY-4-THIOMETHYL-BETA-D-
RIBOHEXOPYRANOSIDE		A,B1PIK0.7
TCBTHIOCELLOBIOSEA2O9R0.91
TCBTHIOCELLOBIOSEA1IEX0.91
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOD0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OCJ0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UP30.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1Q2E0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QK20.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1P6W0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1E5J0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1FCE0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOG0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA2QNO0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1GZ10.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QM50.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1H5V0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1G9J0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC50.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UOZ0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QJW0.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC70.74
X4Sbeta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranosyl-(1->4)-4-thio-
beta-D-xylopyranose		A3CUI0.76
DR5METHYL 4-O-L-GLUCOPYRANOSYL-ALPHA-
L-RIBO-HEXOPYRANOSIDE		A2A8U0.71
CBICELLOBIOSEA,B1K720.72
CBICELLOBIOSEA1Z3T0.72
CBICELLOBIOSEA,B,C,D2OVW0.72
CBICELLOBIOSEA,B1TVP0.72
CBICELLOBIOSEA2A3H0.72
CBICELLOBIOSEA1OA70.72
CBICELLOBIOSEA2B1R0.72
CBICELLOBIOSEA,B,C,D2RFY0.72
CBICELLOBIOSEA3ENG0.72
CBICELLOBIOSEA2OLH0.72
CBICELLOBIOSEA,B,C,D2RG00.72
CBICELLOBIOSEA2O7I0.72
CBICELLOBIOSEA2DWI0.72
CBICELLOBIOSEA1G0C0.72
CBICELLOBIOSEA1QI00.72
ASO1,5-ANHYDROSORBITOLA1XIE0.73
ASO1,5-ANHYDROSORBITOLA3GUH0.73
ASO1,5-ANHYDROSORBITOLA,B2ASV0.73
ASO1,5-ANHYDROSORBITOLH,L2EC90.73
DEL4-DEOXYLACTOSEA1GA80.72
LAKBETA-D-GALACTOPYRANOSYL-1-6-BETA-
D-GLUCOPYRANOSE		A,B,C,D1JZ80.72
LAKBETA-D-GALACTOPYRANOSYL-1-6-BETA-
D-GLUCOPYRANOSE		A2DYX0.72
MALMALTOSEA,P,Z1R6Z0.72
MALMALTOSEA1PJ90.72
MALMALTOSEA,B,C,D,E,F2QTS0.72
MALMALTOSEA,B3EHT0.72
MALMALTOSEA3D4C0.72
MALMALTOSEA,B,C,D3BC60.72
MALMALTOSEA,B1O840.72
MALMALTOSEA1IUD0.72
MALMALTOSEA1CXI0.72
MALMALTOSE1,21MDP0.72
MALMALTOSEA1MDQ0.72
MALMALTOSEA,B1OBB0.72
MALMALTOSEA,B,C1A7L0.72
MALMALTOSEA1JVY0.72
MALMALTOSEA2D2V0.72
MALMALTOSEA,B1K1Y0.72
MALMALTOSEA1CGX0.72
MALMALTOSEA1MPD0.72
MALMALTOSEA1OT10.72
MALMALTOSEA,B,C,D2AT10.72
MALMALTOSEA1JVX0.72
MALMALTOSEA3EHS0.72
MALMALTOSEX2F5T0.72
MALMALTOSEA,B,C,D3G7V0.72
MALMALTOSEA1NL50.72
MALMALTOSEA1QHO0.72
MALMALTOSEA,B,F2R6G0.72
MALMALTOSEA,B1YTV0.72
MALMALTOSEA1GJW0.72
MALMALTOSEA1N3W0.72
MALMALTOSEA1WDQ0.72
MALMALTOSEA,B,C,D1AT10.72
MALMALTOSEA1WDR0.72
MALMALTOSEA2B650.72
MALMALTOSEA,B,C,D3EHU0.72
MALMALTOSEA1URG0.72
MALMALTOSEA,B,C,D3C4M0.72
MALMALTOSEA,B,C,D7AT10.72
MALMALTOSEA2GJP0.72
MALMALTOSEA1CXF0.72
MALMALTOSEA1CXE0.72
MALMALTOSEA1PEZ0.72
MALMALTOSEA1MG10.72
MALMALTOSEA,B,C,D8AT10.72
MALMALTOSEA2RH10.72
MALMALTOSEA1CGV0.72
MALMALTOSEA2BHZ0.72
MALMALTOSEA1CXH0.72
MALMALTOSEA1B9Z0.72
MALMALTOSEA,B3EF70.72
MALMALTOSEA1CGW0.72
MALMALTOSEA1HX00.72
MALMALTOSEA1CGY0.72
MALMALTOSEA1OT20.72
MALMALTOSEA,B,C,D,E,F,
G,H		3D4G0.72
MALMALTOSEA,C2CYF0.72
MALMALTOSEA1CDG0.72
MALMALTOSEA1KCL0.72
MALMALTOSEA,B2OK20.72
MALMALTOSEA,B1AHP0.72
MALMALTOSEA1QHP0.72
MALMALTOSEA1UA30.72
NGR3-O-alpha-D-glucopyranosyl-alpha-
D-glucopyranose		A2K460.72
10Mdecyl 4-O-alpha-D-glucopyranosyl-
1-thio-beta-D-glucopyranoside		A3C5T0.81
10Mdecyl 4-O-alpha-D-glucopyranosyl-
1-thio-beta-D-glucopyranoside		A,B3C590.81
BGSBETA-D-GLUCOPYRANOSYLSULFONYLETHANEA2B5Z0.86
TM5THIO-MALTOPENTAOSEA9CGT0.74
B2GGALACTOBIOSEA,B2CCR0.72
B2GGALACTOBIOSEA,B2J740.72
B2GGALACTOBIOSEA,B1UR40.72