BioLiP

PDB

BioLiP

PDB CCD ID:

BYX

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O4

InChI:

InChI=1S/C10H12N2O4/c13-9(11-15)5-7-1-2-8(4-3-7)6-10(14)12-16/h1-4,15-16H,5-6H2,(H,11,13)(H,12,14)

InChIKey:

BKDWYNGFJRBIJD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(NO)Cc1ccc(cc1)CC(NO)=O
CACTVS 3.385	ONC(=O)Cc1ccc(CC(=O)NO)cc1
OpenEye OEToolkits 2.0.6	c1cc(ccc1CC(=O)NO)CC(=O)NO

Name:

2,2'-(1,4-phenylene)bis(N-hydroxyacetamide)

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).