BioLiP

PDB

BioLiP

PDB CCD ID:

NKW

Number of entries in BioLiP:

Chemical formula:

C6 H4 Br N3

InChI:

InChI=1S/C6H4BrN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)

InChIKey:

BQCIJWPKDPZNHD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1ccc2nn[nH]c2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Br)[nH]nn2

Name:

6-bromanyl-1~{H}-benzotriazole

ZINC:

ZINC000019859472

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).