BioLiP

PDB

BioLiP

PDB CCD ID:

G68

Number of entries in BioLiP:

Chemical formula:

C16 H17 N O2

InChI:

InChI=1S/C16H17NO2/c18-14-4-1-3-13(11-14)16-6-2-5-15(17-16)12-7-9-19-10-8-12/h1-6,11-12,18H,7-10H2

InChIKey:

JWOOVEVAKYLUGG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cccc(c1)c2cccc(n2)C3CCOCC3
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3

Name:

3-[6-(oxan-4-yl)pyridin-2-yl]phenol

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).