BioLiP

PDB

BioLiP

PDB CCD ID:

UI7

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2

InChI:

InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-3-8(5-9)6-11/h2-5,11H,6H2,1H3,(H,10,12)

InChIKey:

WIXYDGUCWPQDPW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1cccc(c1)CO
CACTVS 3.385	CC(=O)Nc1cccc(CO)c1

Name:

N-[3-(hydroxymethyl)phenyl]ethanamide

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).