BioLiP

PDB

BioLiP

PDB CCD ID:

NKE

Number of entries in BioLiP:

Chemical formula:

C6 H3 Br2 N3

InChI:

InChI=1S/C6H3Br2N3/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H,(H,9,10,11)

InChIKey:

OWEQSMBFLCRRMV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c2c(c1Br)[nH]nn2)Br
CACTVS 3.385	Brc1ccc(Br)c2nn[nH]c12

Name:

4,7-bis(bromanyl)-1~{H}-benzotriazole

ZINC:

ZINC000026506842

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).