BioLiP

PDB

BioLiP

PDB CCD ID:

LVU

Number of entries in BioLiP:

Chemical formula:

C9 H5 Br2 N3

InChI:

InChI=1S/C9H5Br2N3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14)

InChIKey:

LIFGJTPUCFFUJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2c(cc(c1Br)Br)[nH]nc2CC#N
CACTVS 3.385	Brc1cc2[nH]nc(CC#N)c2cc1Br

Name:

2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile

ChEMBL:

CHEMBL5198078

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).