BioLiP

PDB

BioLiP

PDB CCD ID:

I1L

Number of entries in BioLiP:

Chemical formula:

C3 H7 N6 O

InChI:

InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)/p+1

InChIKey:

TWKUAKLZOIABHJ-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(c1n[nH]nn1)C(=O)N[NH3+]
CACTVS 3.385	[NH3+]NC(=O)Cc1n[nH]nn1

Name:

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