BioLiP

PDB

BioLiP

PDB CCD ID:

BWK

Number of entries in BioLiP:

Chemical formula:

C4 H10 N6 O

InChI:

InChI=1S/C4H8N6O/c1-10-3(7-8-9-10)2-4(11)6-5/h2,5H2,1H3,(H,6,11)/p+2

InChIKey:

MVCFGOJWEMLOIP-UHFFFAOYSA-P

SMILES:

Software	SMILES
CACTVS 3.385	Cn1nn[nH+]c1CC(=O)N[NH3+]
OpenEye OEToolkits 2.0.6	Cn1c([nH+]nn1)CC(=O)N[NH3+]

Name:

[2-(1-methyl-1,2,3,4-tetrazol-4-ium-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).