BioLiP

PDB

BioLiP

PDB CCD ID:

QWW

Number of entries in BioLiP:

Chemical formula:

C5 H Br3 N4

InChI:

InChI=1S/C5HBr3N4/c6-1-2(7)4(8)9-5-3(1)10-12-11-5/h(H,9,10,11,12)

InChIKey:

SIDPOVAKIOFKQR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1nc2nn[nH]c2c(Br)c1Br
OpenEye OEToolkits 2.0.7	c12c(c(c(nc1nn[nH]2)Br)Br)Br

Name:

5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine

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).