BioLiP

PDB

BioLiP

PDB CCD ID:

NK5

Number of entries in BioLiP:

Chemical formula:

C9 H8 N4 O2

InChI:

InChI=1S/C9H8N4O2/c14-9(11-15)8-6-13(12-10-8)7-4-2-1-3-5-7/h1-6,15H,(H,11,14)

InChIKey:

ALZYWLPUOFGSEC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)n2cc(nn2)C(=O)NO
CACTVS 3.385	ONC(=O)c1cn(nn1)c2ccccc2

Name:

~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide

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).