Showing entry for SHU 508


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0027956
Compound NameSHU 508
Structure
FormulaC6H12O6
InchiKeyWQZGKKKJIJFFOK-PHYPRBDBSA-N
SMILESOC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)O
InchiInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
IUPAC(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Molecular Weight180.06
Pubchem Id439357
Chembl IdCHEMBL1233058
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB GLA
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
P16404 BXGT008223 Lectin reviewed - - - - 1570
P02974 BXGT006000 Fimbrial protein reviewed pilE1 - - - - -
P69179 BXGT011622 Shiga-like toxin 1 subunit B reviewed stxB - - - - -
P69178 BXGT011621 Shiga-like toxin 1 subunit B reviewed stxB - - - - -
P32890 BXGT009675 Heat-labile enterotoxin B chain reviewed eltB - - - - -
P01857 BXGT005796 Immunoglobulin heavy constant gamma 1 reviewed IGHG1 - - - - -
P32890 BXGT009675 Heat-labile enterotoxin B chain reviewed eltB - - 1200000 - -
P10844 BXGT007625 Botulinum neurotoxin type B reviewed botB - - - - -
P06971 BXGT006528 Ferrichrome outer membrane transporter/phage receptor reviewed fhuA - - - - -
P40943 BXGT010210 Endo-1,4-beta-xylanase reviewed - - - - -
Q8W1R6 BXGT018963 GSI-B4 isolectin unreviewed - - - - -
Q47450 BXGT014708 Uncharacterized protein unreviewed - - - - -
P11212 BXGT007671 Nucleoprotein reviewed N - - - - -
Q9ZB17 BXGT022437 Aldose 1-epimerase unreviewed galM - - - - -
Q46079 BXGT014632 Chondroitinase-B reviewed cslB - - - - -
Q9RIK9 BXGT021462 Beta-mannosidase unreviewed manB - - - - -
Q05097 BXGT012804 PA-I galactophilic lectin reviewed lecA - - - 29412 -
Q9R7D7 BXGT021432 Galactokinase reviewed galK - - - - -
Q9HHB6 BXGT020552 Galactokinase reviewed galK - - - - -
P12528 BXGT007825 Tail spike protein reviewed 9 - - - - -
Q9FXT4 BXGT020395 Alpha-galactosidase reviewed Os10g0493600 - - - - -
P18670 BXGT008420 Agglutinin alpha chain reviewed - - - - -
Q9P4R8 BXGT021310 Galectin-2 reviewed Cgl2 - - - - -
G0L322 BXGT003366 Beta-agarase A reviewed agaA - - - - -
O33833 BXGT004460 Beta-fructosidase reviewed bfrA - - - - -
P51570 BXGT010858 Galactokinase reviewed GALK1 Kinase - - - -
Q6WY08 BXGT016601 Anti-tumor lectin reviewed - - - - -
P04958 BXGT006288 Tetanus toxin reviewed tetX - - - - -
P04385 BXGT006199 Galactokinase reviewed GAL1 - - - - -
Q47644 BXGT014716 Orf protein unreviewed stx2eB - - - - -
O58107 BXGT004781 Galactokinase reviewed galK - - - - -
O24313 BXGT004225 Basic agglutinin reviewed WBAI - - - - -
P02872 BXGT005978 Galactose-binding lectin reviewed - - - - -
P16154 BXGT008202 Toxin A reviewed toxA - - - - -
Q15485 BXGT013574 Ficolin-2 reviewed FCN2 Signaling - - - -
Q913Z3 BXGT019283 Capsid unreviewed - - - - -
Q05097 BXGT012804 PA-I galactophilic lectin reviewed lecA - - - - -
Q9AYY6 BXGT020088 Tail spike protein unreviewed 9 - - - - -
G1UB44 BXGT003443 Alpha-galactosidase Mel36A reviewed melA - - - - -
G4T4R7 BXGT003505 Bifunctional alpha-galactosidase/sucrose kinase AgaSK reviewed agaSK - - - - -
C1CB04 BXGT002412 Blood group A-and B-cleaving endo-beta-galactosidase unreviewed SP70585_2286 - - - - -
P86179 BXGT012085 L-rhamnose-binding lectin CSL3 reviewed - - - - -
P33183 BXGT009700 Nigrin b reviewed - - - - -
P00639 BXGT005601 Deoxyribonuclease-1 reviewed DNASE1 - - - - -
Q8X123 BXGT019030 Agglutinin unreviewed - - - - -
P06280 BXGT006433 Alpha-galactosidase A reviewed GLA - - - - -
P17050 BXGT008277 Alpha-N-acetylgalactosaminidase reviewed NAGA - - - - -
D7GXG0 BXGT003005 Beta-porphyranase A reviewed porA - - - - -
P04824 BXGT006270 Alpha-galactosidase 1 reviewed MEL1 - - - - -
P16404 BXGT008223 Lectin reviewed - - - - -
Q9UJ71 BXGT021725 C-type lectin domain family 4 member K reviewed CD207 Receptor - - - -
Q5F4T5 BXGT015354 Capsid protein unreviewed - - - - -
Q21HB2 BXGT013873 Glycosyl hydrolase family 32, N terminal unreviewed Sde_2657 - - - - -
Q54AD6 BXGT015051 VP1 protein unreviewed - - - - -
P06280 BXGT006433 Alpha-galactosidase A reviewed GLA - 16000000 - - -
P13045 BXGT007876 Protein GAL3 reviewed GAL3 - - - - -
P42592 BXGT010321 Glucosidase YgjK reviewed ygjK - - - - -
A4CYJ6 BXGT001206 Galactose-binding lectin unreviewed sll-2b - - - - -
Q6DQ34 BXGT016255 Hemagglutinin unreviewed HA - - - - -
Q0B4G1 BXGT013060 Uncharacterized protein unreviewed Bamb_5415 - - - - -
B5CY96 BXGT002161 Beta-porphyranase A reviewed BACPLE_01693 - - - - -
Q47212 BXGT014703 F18 fimbrial adhesin AC unreviewed fedF - - - - -
Q6FX55 BXGT016291 Uncharacterized protein unreviewed EPA6 - - - - -
Q86169 BXGT017580 Outer capsid protein VP4 unreviewed - - - - -
Q9ALJ4 BXGT020073 Alpha-galactosidase AgaA reviewed agaA - - - - -
R4GRU5 BXGT022494 BEL-beta trefoil unreviewed - - - - -
A7UNK4 BXGT001616 Alpha-galactosyl-binding lectin reviewed - - - - -
K4LM89 BXGT003778 VP1 unreviewed - - - - -
Q65LL6 BXGT016155 Multiple sugar-binding protein MsmE unreviewed msmE - - - - -
E3EPA1 BXGT003097 Beta-galactosidase unreviewed lacZ2 - 5900000 - - -
A6V267 BXGT001509 Uncharacterized protein unreviewed PSPA7_1769 - - - - -
R4I4P2 BXGT022497 Major capsid protein unreviewed - - - - -
B5BTR7 BXGT002157 VP1 unreviewed - - - - -
A0A0F7R6D6 BXGT000188 Alpha-galactosidase unreviewed - - - - -
A0A182DW20 BXGT000698 PapG, lectin domain unreviewed G801_04654 - - - - -
B7X8M2 BXGT002275 rRNA N-glycosidase unreviewed MCL1 - - - - -
A0A0H2ZE85 BXGT000351 Fucose-binding lectin PA-IIL unreviewed lecB - - - - -
P02924 BXGT005990 L-arabinose-binding periplasmic protein reviewed araF - - - 230 -
A0A0S4TLR1 BXGT000611 Fucose-binding lectin protein unreviewed E7Z57_08365 - - - - -
A4VT01 BXGT001256 Translation initiation factor 2 (IF-2 GTPase) unreviewed SSU05_0272 - - - - -
Q01641 BXGT012601 Outer capsid protein VP4 reviewed - - - - -
P13501 BXGT007917 C-C motif chemokine 5 reviewed CCL5 Signaling - - - -
Q8A6L0 BXGT017842 Retaining alpha-galactosidase reviewed BT_1871 - - - - -
Q57193 BXGT015111 Cholera enterotoxin B-subunit unreviewed ctxB - - - - -
D6R7L2 BXGT002987 Cholera toxin B subunit unreviewed ctxB - - - - -
O52269 BXGT004686 Adhesin binding fucosylated histo-blood group antigen unreviewed babA2 - - - - -
H2FH31 BXGT003585 GalNAc/Gal-specific lectin unreviewed - - - 51000 -
H2FH31 BXGT003585 GalNAc/Gal-specific lectin unreviewed - - - - -
J7HDY4 BXGT003738 Beta-fructofuranosidase unreviewed INV - - - - -
D0QJ68 BXGT002702 VP1 unreviewed - - - - -
M4QNL3 BXGT003860 VP1 unreviewed - - - - -
A0A0E4B1P1 BXGT000173 Capsid protein VP1 unreviewed VP1 - - - - -
P86993 BXGT012097 Lectin reviewed - - - - -
P30328 BXGT009422 Major capsid protein reviewed A430L - - - - -
Q82040 BXGT017386 Outer capsid protein VP4 reviewed - - - - -
A0A0E3X5I8 BXGT023661 Capsid protein unreviewed VP1 - - - - -
P81446 BXGT011949 Beta-galactoside-specific lectin 1 reviewed - - - - -
Q8AB22 BXGT017884 Beta-galactosidase unreviewed BT_0290 - - - - -
A0A083ZM57 BXGT000087 Periplasmic alpha-galactoside-binding protein unreviewed SY94_4618 - - - 24000 -
A0A0C5PVE3 BXGT000139 Tailspike unreviewed 208 - - - - -
B8DWA9 BXGT024123 Probable solute binding protein of ABC transporter system for sugars unreviewed BLA_0461 - - - - -
A7LW89 BXGT024175 Glycosyl hydrolase family 26 unreviewed BACOVA_02093 - - - - -
A0A3G4RHU4 BXGT024210 Endo-1,4-beta-mannanase unreviewed - - - - -
A0A172WCE4 BXGT024693 Phosphotransferase unreviewed - - - - -
E7E2M2 BXGT024625 Lectin unreviewed - - - - -
G9YSP4 BXGT024893 F5/8 type C domain protein unreviewed HMPREF0372_02552 - - - - -
A0A0H2URQ6 BXGT025221 Alpha-galactosidase unreviewed aga - - - - -
B7GUI0 BXGT025641 Galactokinase unreviewed Blon_2062 - - - - -
P02924 BXGT005990 L-arabinose-binding periplasmic protein reviewed araF - - - 10 -
Binding DB 50423644
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT006882 Galectin-1 reviewed Signaling LGALS1 - 50000000 - -
reviewed BXGT008356 Galectin-3 reviewed Signaling LGALS3 - 50000000 - -
CHEMBL CHEMBL1233058
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P09382 BXGT006882 Galectin-1 reviewed Signaling LGALS1 Activity '=' 50 mM
P17931 BXGT008356 Galectin-3 reviewed Signaling LGALS3 IC50 '=' 50000000 nM
P09382 BXGT006882 Galectin-1 reviewed Signaling LGALS1 Activity '=' 1 -
P10323 BXGT007557 Acrosin reviewed Enzyme ACR Inhibition '=' 0 %
P09382 BXGT006882 Galectin-1 reviewed Signaling LGALS1 IC50 '=' 50000000 nM
P17931 BXGT008356 Galectin-3 reviewed Signaling LGALS3 Activity '=' 50 mM
P17931 BXGT008356 Galectin-3 reviewed Signaling LGALS3 Activity '=' 1 -
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 31622 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00093 Black walnut Juglans nigra Nuts
BXGF00106 Mango Mangifera indica Fruits
BXGF00150 Guava Psidium guajava Fruits
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00729 Shea tree Vitellaria paradoxa Herbs and Spices
BXGF01562 Strychnos tomentosa Strychnos tomentosa Others
BXGF01708 Narcissus concolor Narcissus concolor Others
BXGF01911 Bupleurum scorzonerifolium Bupleurum scorzonerifolium Medicinal Plant
BXGF02214 Morus bombycis Morus bombycis Medicinal Plant
BXGF03109 Cneoridium dumosum Cneoridium dumosum Others
BXGF03222 Ungernia minor Ungernia minor Medicinal Plant
BXGF03253 Forsythia suspensa Forsythia suspensa Medicinal Plant
BXGF03319 Trichosanthes kirilowii Trichosanthes kirilowii Medicinal Plant
BXGF03361 Alyxia reinwardtii Alyxia reinwardtii Medicinal Plant
BXGF03461 Microtropis fokienensis Microtropis fokienensis Others
BXGF03658 Centaurea linifolia Centaurea linifolia Others
BXGF03726 Serratula inermis Serratula inermis Others
BXGF03732 Grazielia serrata Grazielia serrata Others
BXGF03804 Machilus macrantha Machilus macrantha Medicinal Plant
BXGF04177 Cordylanthus kingii Cordylanthus kingii Others
BXGF04401 Annona impressivenia Annona impressivenia Others
BXGF04607 Morus alba Morus alba Medicinal Plant
BXGF04705 Abrus precatorius Abrus precatorius Medicinal Plant
BXGF04728 Alseodaphne corneri Alseodaphne corneri Others
BXGF04730 Thymus piperella Thymus piperella Human Edible Plant
BXGF04739 Forsteronia refracta Forsteronia refracta Others
BXGF04742 Eragrostis viscosa Eragrostis viscosa Medicinal Plant
BXGF04747 Nauclea officinalis Nauclea officinalis Medicinal Plant
BXGF04753 Grewia mollis Grewia mollis Medicinal Plant
BXGF04765 Heterotheca grandiflora Heterotheca grandiflora Others
BXGF04771 Croton cumingii Croton cumingii Medicinal Plant
BXGF04775 Bersama yangambiensis Bersama yangambiensis Others
BXGF04783 Ruta pinnata Ruta pinnata Medicinal Plant
BXGF04795 Disynaphia halimifolia Disynaphia halimifolia Others
BXGF04821 Kaunia saltensis Kaunia saltensis Others
BXGF04826 Heliotropium floridum Heliotropium floridum Others
BXGF04835 Castanopsis sclerophylla Castanopsis sclerophylla Medicinal Plant
BXGF04839 Gymnocarpium robertianum Gymnocarpium robertianum Others
BXGF04846 Oncoba echinata Oncoba echinata Others
BXGF04851 Salvia dorrii Salvia dorrii Others
BXGF04858 Teucrium depressum Teucrium depressum Others
BXGF04866 Aconitum nevadense Aconitum nevadense Others
BXGF04871 Trichilia rubescens Trichilia rubescens Others
BXGF04874 Conocephalum japonicum Conocephalum japonicum Others
BXGF04875 Bupleurum chinense Bupleurum chinense Medicinal Plant
BXGF04880 Hovenia acerba Hovenia acerba Medicinal Plant
BXGF04885 Stevia polycephala Stevia polycephala Others
BXGF04893 Sophora angustifolia Sophora angustifolia Others
BXGF04901 Kaempferia marginata Kaempferia marginata Medicinal Plant
BXGF04909 Hippophae fructus Hippophae fructus Others
BXGF04981 Bupleurum falcatum Bupleurum falcatum Medicinal Plant
BXGF05064 Fridericia chica Fridericia chica Medicinal Plant
BXGF05245 Doodia picta Doodia picta Others
BXGF05289 Allium macrostemon Allium macrostemon Medicinal Plant
BXGF05322 Trichosanthes rosthornii Trichosanthes rosthornii Medicinal Plant
BXGF05389 Limonium gmelinii Limonium gmelinii Medicinal Plant
BXGF05835 Malus sylvestris Malus sylvestris Medicinal Plant
BXGF05885 Cratoxylum maingayi Cratoxylum maingayi Others
BXGF05962 Rehmannia glutinosa Rehmannia glutinosa Medicinal Plant
BXGF06004 Allium chinense Allium chinense Medicinal Plant
BXGF06211 Cuphea infundibulum Cuphea infundibulum Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease