AIB

ALPHA-AMINOISOBUTYRIC ACID

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

Find Related PDB Entry
1 entries where AIB is found as a standalone ligand174 entries where AIB is found in a polymer sequence

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

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

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	ALPHA-AMINOISOBUTYRIC ACID
Systematic Name (OpenEye OEToolkits)	2-amino-2-methyl-propanoic acid
Formula	C₄ H₉ N O₂
Molecular Weight	103.12
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)(C)C
SMILES	CACTVS	3.341	CC(C)(N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CC(C)(N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C(=O)O)N
InChI	InChI	1.03	InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKey	InChI	1.03	FUOOLUPWFVMBKG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02952
Name	2-aminoisobutyric acid
Groups	experimental
Synonyms	α-aminoisobutyric acid 2-aminoisobutyric acid α-aminoisobutanoic acid α,α-dimethylglycine α-methylalanine alpha-Aminoisobutyric acid alpha-Methylalanine 2-Amino-2-methylpropanoic acid
Categories	Acids, Acyclic Amino Acids Amino Acids, Branched-Chain Amino Acids, Peptides, and Proteins Aminobutyrates Butyrates Isobutyrates
CAS number	62-57-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Corticoliberin	MRLPLLVSAGVLLVALLPCPPCRALLSRGPVPGARQAPQHPQPLDFFQPP...	unknown
Pro-neuropeptide Y	MLGNKRLGLSGLTLALSLLVCLGALAEAYPSKPDNPGEDAPAEDMARYYS...	unknown
Monocarboxylate transporter 10	MVLSQEEPDSARGTSEAQPLGPAPTGAAPPPGPGPSDSPEAAVEKVEVEL...	unknown	substrate

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