BioLiP

PDB

BioLiP

PDB CCD ID:

NLY

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O2

InChI:

InChI=1S/C6H14N2O2/c7-3-1-2-4-8-5-6(9)10/h8H,1-5,7H2,(H,9,10)

InChIKey:

OGAULEBSQQMUKP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CCNCC(=O)O)CN
ACDLabs 12.01	O=C(O)CNCCCCN
CACTVS 3.370	NCCCCNCC(O)=O

Name:

N-(4-aminobutyl)glycine

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).