Showing entry for Benzothiazole


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004999
Compound NameBenzothiazole
Structure
FormulaC7H5NS
InchiKeyIOJUPLGTWVMSFF-UHFFFAOYSA-N
SMILESS1C=NC2=CC=CC=C12
InchiInChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
IUPAC1,3-benzothiazole
Molecular Weight135.19
Pubchem Id7222
Chembl IdCHEMBL510309
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 n.a
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
Binding DB 50444460
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 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed IDO1 - 652000 - -
CHEMBL CHEMBL510309
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
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
Q09137 BXGT013031 5'-AMP-activated protein kinase catalytic subunit alpha-2 reviewed - Prkaa2 Activity '=' 117 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 58 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 39810 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 '=' 652000 nM
Q09137 BXGT013031 5'-AMP-activated protein kinase catalytic subunit alpha-2 reviewed - Prkaa2 Activity - - -
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 Inhibition '=' 74 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00038 Tea Camellia sinensis Teas
BXGF00042 Safflower Carthamus tinctorius Herbs and Spices
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF00150 Guava Psidium guajava Fruits
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00394 Common persimmon Diospyros virginiana Fruits
BXGF00823 Fruits Fruits
BXGF01426 Cornus officinalis Cornus officinalis Medicinal Plant
BXGF02612 Mosla chinensis Mosla chinensis Medicinal Plant
BXGF03243 Elsholtzia ciliata Elsholtzia ciliata Medicinal Plant
BXGF04820 Panax ginseng Panax ginseng 0
BXGF05842 Platycodon grandiforus Platycodon grandiforus 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