Showing entry for 3,3-Dibromoprop-2-Enoic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0037446
Compound Name3,3-Dibromoprop-2-Enoic Acid
Structure
FormulaC3H2Br2O2
InchiKeyVWWPGQPTCCQNIO-UHFFFAOYSA-N
SMILESBrC(=CC(=O)O)Br
InchiInChI=1S/C3H2Br2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)
IUPAC3,3-dibromoprop-2-enoic acid
Molecular Weight227.84
Pubchem Id13250147
Chembl IdCHEMBL1521683
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 CHEMBL1521683
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
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 44668 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 50118 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01591 Uncaria quadrangularis Uncaria quadrangularis Others
BXGF01906 Ainsliaea dissecta Ainsliaea dissecta Others
BXGF02349 Pulicaria dysenterica Pulicaria dysenterica Medicinal Plant
BXGF02586 Platycarphella carlinoides Platycarphella carlinoides 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