BioLiP

PDB

BioLiP

PDB CCD ID:

2OE

Number of entries in BioLiP:

Chemical formula:

C18 H15 N O2

InChI:

InChI=1S/C18H15NO2/c1-13-10-17(21-16-9-5-8-15(20)11-16)12-18(19-13)14-6-3-2-4-7-14/h2-12,20H,1H3

InChIKey:

SJHYRSDSTDNDIP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O(c1cccc(O)c1)c2cc(nc(c2)C)c3ccccc3
CACTVS 3.385	Cc1cc(Oc2cccc(O)c2)cc(n1)c3ccccc3
OpenEye OEToolkits 1.9.2	Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O

Name:

3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol

ChEMBL:

CHEMBL2178856

ZINC:

ZINC000095576518

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).