BioLiP

PDB

BioLiP

PDB CCD ID:

BX5

Number of entries in BioLiP:

Chemical formula:

C5 H11 N6 O

InChI:

InChI=1S/C5H10N6O/c6-7-5(12)3-1-2-4-8-10-11-9-4/h1-3,6H2,(H,7,12)(H,8,9,10,11)/p+1

InChIKey:

YTERMGVQHHKOIZ-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	[NH3+]NC(=O)CCCc1n[nH]nn1
OpenEye OEToolkits 2.0.6	C(Cc1n[nH]nn1)CC(=O)N[NH3+]

Name:

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