BioLiP

PDB

BioLiP

PDB CCD ID:

BWZ

Number of entries in BioLiP:

Chemical formula:

C8 H9 N6 O

InChI:

InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1

InChIKey:

TVSYEZIXGSKLBM-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	[NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2

Name:

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