Showing entry for Nereistoxin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0038151
Compound NameNereistoxin
Structure
FormulaC5H11NS2
InchiKeyDSOOGBGKEWZRIH-UHFFFAOYSA-N
SMILESCN(C1CSSC1)C
InchiInChI=1S/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3
IUPACN,N-dimethyldithiolan-4-amine
Molecular Weight149.03
Pubchem Id15402
Chembl IdCHEMBL2285758
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 n.a
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
CHEMBL CHEMBL2285758
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
P02710 BXGT005928 Acetylcholine receptor subunit alpha reviewed - CHRNA1 IC50 '=' 1068000 nM
P02710 BXGT005928 Acetylcholine receptor subunit alpha reviewed - CHRNA1 Activity - - -
P02710 BXGT005928 Acetylcholine receptor subunit alpha reviewed - CHRNA1 IC50 '=' 953000 nM
A9XFY4 BXGT001818 Nicotinic acetylcholine receptor alpha 5 subunit unreviewed - nAChRalpha5 Ki '=' 187000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00206 Ginger Zingiber officinale Herbs and Spices
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