BioLiP

PDB

BioLiP

PDB CCD ID:

LFU

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O

InChI:

InChI=1S/C5H12N2O/c1-5(8)7-4-2-3-6/h2-4,6H2,1H3,(H,7,8)

InChIKey:

YFZBPSXRYCOKCW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)NCCCN

Name:

~{N}-(3-azanylpropyl)ethanamide

ZINC:

ZINC000013511460

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).