BioLiP

PDB

BioLiP

PDB CCD ID:

A1AIV

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2

InChI:

InChI=1S/C4H8N2/c5-3-1-2-4-6/h1-3,5H2

InChIKey:

XGYKKVTZDQDYJQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC#N)CN
CACTVS 3.385	NCCCC#N
ACDLabs 12.01	N#CCCCN

Name:

4-aminobutanenitrile

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).