BioLiP

PDB

BioLiP

PDB CCD ID:

A1AZQ

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2

InChI:

InChI=1S/C10H13NO2/c12-10(13)8-11-7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13)

InChIKey:

UHNMIDKSDRGICN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CNCCc1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCNCC(=O)O
ACDLabs 12.01	O=C(O)CNCCc1ccccc1

Name:

N-(2-phenylethyl)glycine

ChEMBL:

CHEMBL1564653

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).