BioLiP

PDB

BioLiP

PDB CCD ID:

4JN

Number of entries in BioLiP:

Chemical formula:

C5 H5 Br N2

InChI:

InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2

InChIKey:

XTHKRYHULUJQHN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1c(ncc(c1)N)Br
CACTVS 3.385	Nc1ccc(Br)nc1
OpenEye OEToolkits 1.9.2	c1cc(ncc1N)Br

Name:

6-bromopyridin-3-amine

ZINC:

ZINC000001427060

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).