BioLiP

PDB

BioLiP

PDB CCD ID:

4JO

Number of entries in BioLiP:

Chemical formula:

C6 H7 Br N2

InChI:

InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)

InChIKey:

SEOZHXRTVJPQPZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1c(ccc(n1)N)Br
CACTVS 3.385	Cc1nc(N)ccc1Br
ACDLabs 12.01	Brc1ccc(nc1C)N

Name:

5-bromo-6-methylpyridin-2-amine

ZINC:

ZINC000019015078

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).