BioLiP

PDB

BioLiP

PDB CCD ID:

BXE

Number of entries in BioLiP:

Chemical formula:

C4 H9 N6 O

InChI:

InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1

InChIKey:

YTOFZWXGVLOWNC-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CC(=O)N[NH3+])c1n[nH]nn1
CACTVS 3.385	[NH3+]NC(=O)CCc1n[nH]nn1

Name:

[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium

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).