Molecule Details
| InChIKey | BTCSSZJGUNDROE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Gamma-Aminobutyric Acid |
| Canonical SMILES | NCCCC(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 23 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.26 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02530 |
|---|---|
| Drug Name | gamma-Aminobutyric acid |
| CAS Number | 56-12-2 |
| Groups | approved investigational |
| ATC Codes | nan |
| Description | The most common inhibitory neurotransmitter in the central nervous system. |
Categories: Acids, Acyclic Amino Acids Amino Acids, Peptides, and Proteins Aminobutyrates Butyrates GABA Agents Neurotransmitter Agents
Cross-references: BindingDB: 24183 ChEBI: 59888 CHEMBL96 ChemSpider: 116 Guide to Pharmacology: 1067 IUPHAR: 1067 C00334 D00058 PDB: ABU PubChem:119 PubChem:46507841 RxCUI: 4617 Wikipedia: Gamma-Aminobutyric_acid ZINC: ZINC000001532620
Target Activities (23)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75899 | GABBR2 | Homo sapiens | Human | PF00003 PF01094 PF18455 | 7.6 | IC50 | ChEMBL |
| Q9UBS5 | GABBR1 | Homo sapiens | Human | PF00003 PF01094 PF00084 | 7.6 | IC50 | ChEMBL;BindingDB |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL;BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL;BindingDB |
| O00591 | GABRP | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| O14764 | GABRD | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| P78334 | GABRE | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| Q8N1C3 | GABRG1 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| Q99928 | GABRG3 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| Q9UN88 | GABRQ | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL;BindingDB |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | Ki | ChEMBL;BindingDB |
| Q9HCN6 | GP6 | Homo sapiens | Human | PF13895 PF13927 | 7.4 | Kd | ChEMBL;BindingDB |
| A8MPY1 | GABRR3 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | Ki | BindingDB |
| P48065 | SLC6A12 | Homo sapiens | Human | PF00209 | 6.0 | IC50 | ChEMBL |
| P48066 | SLC6A11 | Homo sapiens | Human | PF00209 | 6.0 | IC50 | ChEMBL |
| A0A0V1DID4 | CNRIP1 | Trichinella britovi | Pathogen | PF15043 | 6.0 | Ki | BindingDB |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P13612 | ITGA4 | Integrin alpha-4 | binder | targets |
| P50440 | P50440 | Glycine amidinotransferase, mitochondrial | binder | targets |
| O75899 | GABBR2 | Gamma-aminobutyric acid type B receptor subunit 2 | inhibitor | targets |
| P14867 | GABRA1 | Gamma-aminobutyric acid receptor subunit alpha-1 | inhibitor | targets |
| P18507 | GABRG2 | Gamma-aminobutyric acid receptor subunit gamma-2 | inhibitor | targets |
| P30531 | SLC6A1 | Sodium- and chloride-dependent GABA transporter 1 | inhibitor | targets |
| P31644 | GABRA5 | Gamma-aminobutyric acid receptor subunit alpha-5 | inhibitor | targets |
| P34903 | GABRA3 | Gamma-aminobutyric acid receptor subunit alpha-3 | inhibitor | targets |
| P47869 | GABRA2 | Gamma-aminobutyric acid receptor subunit alpha-2 | inhibitor | targets |
| P47870 | GABRB2 | Gamma-aminobutyric acid receptor subunit beta-2 | inhibitor | targets |
| P48066 | SLC6A11 | Sodium- and chloride-dependent GABA transporter 3 | inhibitor | targets |
| Q9UBS5 | GABBR1 | Gamma-aminobutyric acid type B receptor subunit 1 | inhibitor | targets |
| Q7Z2H8 | Q7Z2H8 | Proton-coupled amino acid transporter 1 | binder | transporters |