BioLiP

PDB

BioLiP

PDB CCD ID:

V9Y

Number of entries in BioLiP:

Chemical formula:

C6 H6 N2 O5

InChI:

InChI=1S/C6H6N2O5/c9-5(7-11)3-1-2-4(13-3)6(10)8-12/h1-2,11-12H,(H,7,9)(H,8,10)

InChIKey:

PJWJTAUUGOFUIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(oc1C(=O)NO)C(=O)NO
ACDLabs 12.01	C(=O)(NO)c1ccc(o1)C(=O)NO
CACTVS 3.385	ONC(=O)c1oc(cc1)C(=O)NO

Name:

N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide

ZINC:

ZINC000005260243

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).