BioLiP

PDB

BioLiP

PDB CCD ID:

A1H4N

Number of entries in BioLiP:

Chemical formula:

C4 H3 Cl2 N3

InChI:

InChI=1S/C4H3Cl2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)

InChIKey:

AMRVETKYGCRGPJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ncc(Cl)nc1Cl
OpenEye OEToolkits 2.0.7	c1c(nc(c(n1)N)Cl)Cl

Name:

3,5-bis(chloranyl)pyrazin-2-amine;
HYDROXYETHYLAMINE BACE INHIBITOR

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).