BioLiP

PDB

BioLiP

PDB CCD ID:

267

Number of entries in BioLiP:

Chemical formula:

C8 H9 N3

InChI:

InChI=1/C8H9N3/c1-7-3-2-4-8(5-7)6-10-11-9/h2-5H,6H2,1H3

InChIKey:

FCVHHYNXTVRWJE-UHFFFAOYAX

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cccc(c1)CN=[N+]=[N-]
CACTVS 3.341	Cc1cccc(CN=[N+]=[N-])c1
	azide

Name:

1-(azidomethyl)-3-methylbenzene

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).