BioLiP

PDB

BioLiP

PDB CCD ID:

HEW

Number of entries in BioLiP:

Chemical formula:

C5 H5 Br N2

InChI:

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

InChIKey:

BAQKUNMKVAPWGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cnc(cc1Br)N
CACTVS 3.385	Nc1cc(Br)ccn1

Name:

4-bromanylpyridin-2-amine

ZINC:

ZINC000019862889

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).