BioLiP

PDB

BioLiP

PDB CCD ID:

LW3

Number of entries in BioLiP:

Chemical formula:

C9 H5 Br Cl N3

InChI:

InChI=1S/C9H5BrClN3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14)

InChIKey:

FAGVHGZPQSWXCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2c(cc(c1Br)Cl)[nH]nc2CC#N
CACTVS 3.385	Clc1cc2[nH]nc(CC#N)c2cc1Br

Name:

2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile

ChEMBL:

CHEMBL5201730

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).