BioLiP

PDB

BioLiP

PDB CCD ID:

NKB

Number of entries in BioLiP:

Chemical formula:

C6 H2 Br3 N3

InChI:

InChI=1S/C6H2Br3N3/c7-2-1-3-6(11-12-10-3)5(9)4(2)8/h1H,(H,10,11,12)

InChIKey:

UDYRCOANXIWHAL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2c(c(c(c1Br)Br)Br)[nH]nn2
CACTVS 3.385	Brc1cc2nn[nH]c2c(Br)c1Br

Name:

5,6,7-tris(bromanyl)-1~{H}-benzotriazole

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).