BioLiP

PDB

BioLiP

PDB CCD ID:

NLZ

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O3

InChI:

InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)

InChIKey:

IIUJCQYKTGNRHH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1ccc(O)cc1O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1O)O)C(=O)N

Name:

2,4-bis(oxidanyl)benzamide

ZINC:

ZINC000001690428

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).