BioLiP

PDB

BioLiP

PDB CCD ID:

BVK

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2

InChI:

InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)

InChIKey:

HAAUVXXFRQXTTQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCc1ccc(CC(O)=O)cc1
OpenEye OEToolkits 2.0.6	c1cc(ccc1CC(=O)O)CN

Name:

2-[4-(aminomethyl)phenyl]ethanoic acid

ZINC:

ZINC000004202809

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).