BioLiP

PDB

BioLiP

PDB CCD ID:

4HU

Number of entries in BioLiP:

Chemical formula:

C6 H6 Br N O

InChI:

InChI=1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2

InChIKey:

XDDGKNRSCDEWBR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(nc(c1)Br)CO
CACTVS 3.385	OCc1cccc(Br)n1
ACDLabs 12.01	c1(cccc(Br)n1)CO

Name:

(6-bromopyridin-2-yl)methanol

ZINC:

ZINC000012496091

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).