BioLiP

PDB

BioLiP

PDB CCD ID:

A1IOX

Number of entries in BioLiP:

Chemical formula:

C9 H9 N5 O

InChI:

InChI=1S/C9H9N5O/c15-9(6-8-11-13-14-12-8)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,15)(H,11,12,13,14)

InChIKey:

WSZXJUNYWNMAOE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NC(=O)Cc2[nH]nnn2
CACTVS 3.385	O=C(Cc1[nH]nnn1)Nc2ccccc2

Name:

N-phenyl-2-(1H-tetrazol-5-yl)acetamide;
~{N}-phenyl-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide

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).