BioLiP

PDB

BioLiP

PDB CCD ID:

A1EDY

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2

InChI:

InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)

InChIKey:

CSEWAUGPAQPMDC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1CC(=O)O)N
CACTVS 3.385	Nc1ccc(CC(O)=O)cc1

Name:

2-(4-aminophenyl)ethanoic acid;
4-Aminophenylacetic acid

ChEMBL:

CHEMBL3278327

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).