BioLiP

PDB

BioLiP

PDB CCD ID:

IJO

Number of entries in BioLiP:

Chemical formula:

C6 H6 Br N O

InChI:

InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3

InChIKey:

YFTGMMXMLPTTAY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(ccn1)Br
CACTVS 3.385	COc1cc(Br)ccn1

Name:

4-bromanyl-2-methoxy-pyridine

ZINC:

ZINC000008698203

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).