Molecular Details
DICL_CP_0307578
- barium(2+)
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307578
PubChem CID
Molecular Formula
Ba+2 Molecular Weight
137.328 g/mol
Synonyms/Alias
[barium(2+); BARIUM ION; barium cation; 22541-12-4; Barium; ion (Ba2+); Ba2+; BaII; Barium (II) ion; Ba(2+); V645272HLN; Ba++; UNII-V645272HLN; CHEBI:37136; barium cations; barium(II); barium(II) cati...
InChI Key
XDFCIPNJCBUZJN-UHFFFAOYSA-N
InChI
InChI=1S/Ba/q+2
IUPAC Name
barium(2+)
CAS Number
7727-43-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
1 0 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 Ba 0 0 0 0 0 15 0 0 0 0 0 0
M CHG 1 1 2
M END
$$$$
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 1
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 26 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Not mention
Test Method
Efflux Assay ([86] Rubidium Ion)
Test Species
frog
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
The E125 residue participates in assisting the entry of Ba2+ into the pore, whereas the T141 residue is involved in the stabilization of the Ba2+ ion in its deep binding site
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
Computed Properties
Heavy Atom Count
1
Rotatable Bonds
0
logP
-0.3808
Complexity
5.754
TPSA (Ų)
0
H-Bond Donors
0
H-Bond Acceptors
0
Ring Count
0