BioLiP

PDB

BioLiP

PDB CCD ID:

0XL

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O2

InChI:

InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)

InChIKey:

KWOMLHIFHFWBSB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCC(CC)(C(=O)O)N
CACTVS 3.370	CCC(N)(CC)C(O)=O
ACDLabs 12.01	O=C(O)C(N)(CC)CC

Name:

2-amino-2-ethylbutanoic acid

ZINC:

ZINC000001602523

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).