ABU

GAMMA-AMINO-BUTANOIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

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78 entries where ABU is found as a standalone ligand11 entries where ABU is covalently linked to polymer or other heterogen groups 6 entries where ABU is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

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Chemical Component Summary
Name	GAMMA-AMINO-BUTANOIC ACID
Synonyms	GAMMA(AMINO)-BUTYRIC ACID
Systematic Name (OpenEye OEToolkits)	4-azanylbutanoic acid
Formula	C₄ H₉ N O₂
Molecular Weight	103.12
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCCN
SMILES	CACTVS	3.370	NCCCC(O)=O
SMILES	OpenEye OEToolkits	1.7.0	C(CC(=O)O)CN
Canonical SMILES	CACTVS	3.370	NCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C(CC(=O)O)CN
InChI	InChI	1.03	InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKey	InChI	1.03	BTCSSZJGUNDROE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02530
Name	gamma-Aminobutyric acid
Groups	approved investigational
Description	The most common inhibitory neurotransmitter in the central nervous system.
Synonyms	γ-amino-n-butyric acid 4-aminobutyric acid γ-aminobutanoic acid 4Abu GABA gamma-Aminobutyric acid ω-aminobutyric acid 4-aminobutanoic acid piperidic acid Gamma-Aminobutyric Acid Hydrochloride piperidinic acid γ-Aminobuttersäure γ-aminobutyric acid
Brand Names	Theraproxen-500 Theracodophen-Low-90 Theraprofen-90 Medi-doze Sleep Aid Theracodophen-750 Theraprofen-60 Theraproxen Therapentin-90 Therafeldamine Therabenzaprine-60 Theratramadol-90 Therabenzaprine-90-5 Therabenzaprine-90 Theracodeine-300 Therapentin-60 Theraproxen-90 Theraprofen-800 Medi-doze Rx Sleep Aid Hypnosom Prazolamine Theracodophen-325 Gongjinhyang Qi and Jin Eye Theratramadol-60 Theracodophen-650
Categories	Acids, Acyclic Amino Acids Amino Acids, Peptides, and Proteins Aminobutyrates Butyrates GABA Agents Neurotransmitter Agents
CAS number	56-12-2

Drug Targets

Name	Target Sequence	Pharmacological Action
Gamma-aminobutyric acid type B receptor subunit 1	MLLLLLLAPLFLRPPGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQ...	unknown
Gamma-aminobutyric acid type B receptor subunit 2	MASPRSSGQPGPPPPPPPPPARLLLLLLLPLLLPLAPGAWGWARGAPRPP...	unknown
Glycine amidinotransferase, mitochondrial	MLRVRCLRGGSRGAEAVHYIGSRLGRTLTGWVQRTFQSTQAATASSRNSC...	unknown
Proton-coupled amino acid transporter 1	MSTQRLRNEDYHDYSSTDVSPEESPSEGLNNLSSPGSYQRFGQSNSTTWF...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
Pharos	CHEMBL96
PubChem	119, 6992099
ChEMBL	CHEMBL96
ChEBI	CHEBI:59888, CHEBI:16865
CCDC/CSD	ZEMBUR, CAMRIU01, ZEMBOL, CAMRIU, QARWOW, GAMBAC11, GAMBUT04, ZIPWOM01, ZIPWOM, GAMBUT02, CAMRIU02, IWOJEJ, VELCAT, WERLAH, WERLEL01, VAWNEP, AJIMIS, EYULUG, WERLEL, GAMBUT01, GAMBUT10, AJINIT, ILIZOV, OYUHAU, UBEPUQ, VAYKUF, LASHEW, QARWOW01
COD	7111909, 7111908