BioLiP

PDB

BioLiP

PDB CCD ID:

A1CR0

Number of entries in BioLiP:

Chemical formula:

C18 H15 N O2

InChI:

InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H

InChIKey:

LJROKJGQSPMTKB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1ccnc(c1)C(c2ccc(cc2)O)c3ccc(cc3)O
ACDLabs 14.52	Oc1ccc(cc1)C(c1ccc(O)cc1)c1ccccn1
CACTVS 3.385	Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccn3

Name:

4,4'-[(pyridin-2-yl)methylene]diphenol

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).