BioLiP

PDB

BioLiP

PDB CCD ID:

K42

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O2

InChI:

InChI=1S/C8H11NO2/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2

InChIKey:

QSDOKFGRSJQNMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1O)OCCN
CACTVS 3.385	NCCOc1ccc(O)cc1

Name:

4-(2-azanylethoxy)phenol

ZINC:

ZINC000033506784

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).