BioLiP

PDB

BioLiP

PDB CCD ID:

ZNN

Number of entries in BioLiP:

Chemical formula:

C6 H13 N5 O

InChI:

InChI=1S/C6H13N5O/c7-3-1-2-4-9-6(12)5-10-11-8/h1-5,7H2,(H,9,12)

InChIKey:

SISZTIABCFMEIA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	[N-]=[N+]=N\CC(=O)NCCCCN
OpenEye OEToolkits 1.7.6	C(CCNC(=O)CN=[N+]=[N-])CN
CACTVS 3.385	NCCCCNC(=O)CN=[N+]=[N-]

Name:

N-(4-aminobutyl)-2-azidoacetamide

ZINC:

ZINC000263621041

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).