BioLiP

PDB

BioLiP

PDB CCD ID:

2IQ

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O2

InChI:

InChI=1S/C8H17NO2/c1-2-3-4-5-6-9-7-8(10)11/h9H,2-7H2,1H3,(H,10,11)

InChIKey:

DAQPDSNNUNDKNX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCNCC(=O)O
CACTVS 3.385	CCCCCCNCC(O)=O

Name:

2-(hexylamino)ethanoic acid

ZINC:

ZINC000001679250

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).