BioLiP

PDB

BioLiP

PDB CCD ID:

K6X

Number of entries in BioLiP:

Chemical formula:

C7 H Br5 N2

InChI:

InChI=1S/C7HBr5N2/c8-2-1-6(13-14-7(1)12)5(11)4(10)3(2)9/h(H,13,14)

InChIKey:

WQPXVZWNOLUBMY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br
CACTVS 3.352	Brc1n[nH]c2c(Br)c(Br)c(Br)c(Br)c12

Name:

3,4,5,6,7-pentabromo-1H-indazole

ZINC:

ZINC000058638743

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).