BioLiP

PDB

BioLiP

PDB CCD ID:

VWF

Number of entries in BioLiP:

Chemical formula:

C7 H4 N4

InChI:

InChI=1S/C7H4N4/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,(H,9,10,11)

InChIKey:

OEBMOZBCDOBXAN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N#Cc1ccc2[nH]nnc2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1C#N)nn[nH]2

Name:

1H-benzotriazole-5-carbonitrile;
5-cyanobenzotriazole

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).