GABA   

GtoPdb Ligand ID: 1067

Synonyms: γ-amino butyric acid | 4-aminobutyric acid | gamma-aminobutyric acid
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 103.06
XLogP -0.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCCCC(=O)O
Isomeric SMILES NCCCC(=O)O
InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChI Key BTCSSZJGUNDROE-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
4-Aminobutanoic acid
Synonyms
γ-amino butyric acid | 4-aminobutyric acid | gamma-aminobutyric acid
Database Links
BindingDB Ligand 24183
CAS Registry No. 56-12-2
ChEBI CHEBI:16865
ChEMBL Ligand CHEMBL96
DrugBank Ligand DB02530
DrugCentral Ligand 1262
GtoPdb PubChem SID 135651489
PubChem CID 119
RCSB PDB Ligand ABU
Search Google for chemical match using the InChIKey BTCSSZJGUNDROE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BTCSSZJGUNDROE
Search UniChem for chemical match using the InChIKey BTCSSZJGUNDROE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BTCSSZJGUNDROE
SynPHARM 2814 (in complex with GABAB receptor)
Wikipedia Gamma-Aminobutyric_acid

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Tocris
GABA
Cat. No. 0344