BioLiP

PDB

BioLiP

PDB CCD ID:

G5T

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2 O2

InChI:

InChI=1S/C15H16N2O2/c18-13-4-1-3-12(11-13)14-5-2-6-15(16-14)17-7-9-19-10-8-17/h1-6,11,18H,7-10H2

InChIKey:

HHRAPFSCLJQTTE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cccc(c1)c2cccc(n2)N3CCOCC3
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3

Name:

3-(6-morpholin-4-ylpyridin-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).