BioLiP

PDB

BioLiP

PDB CCD ID:

A1EHQ

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O

InChI:

InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2

InChIKey:

IMLAIXAZMVDRGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)OCCN
CACTVS 3.385	NCCOc1ccccc1

Name:

2-phenoxyethanamine

ChEMBL:

CHEMBL217680

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).