BioLiP

PDB

BioLiP

PDB CCD ID:

A7Q

Number of entries in BioLiP:

Chemical formula:

C12 H11 N O2

InChI:

InChI=1S/C12H11NO2/c14-9-10-6-7-12(13-8-10)15-11-4-2-1-3-5-11/h1-8,14H,9H2

InChIKey:

ZAKRVFYNLKKPOF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)Oc2ccc(cn2)CO
CACTVS 3.385	OCc1ccc(Oc2ccccc2)nc1

Name:

(6-phenoxypyridin-3-yl)methanol

ZINC:

ZINC000000158921

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).