BioLiP

PDB

BioLiP

PDB CCD ID:

YIZ

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3

InChI:

InChI=1S/C10H12N2O3/c1-7(13)11-6-8-2-4-9(5-3-8)10(14)12-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14)

InChIKey:

DWOKCNQEXSKNLD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	ONC(=O)c1ccc(CNC(C)=O)cc1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)NCc1ccc(cc1)C(=O)NO

Name:

4-(acetamidomethyl)-N-hydroxybenzamide

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).