BioLiP

PDB

BioLiP

PDB CCD ID:

V9D

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O4

InChI:

InChI=1S/C8H8N2O4/c11-7(9-13)5-2-1-3-6(4-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)

InChIKey:

OGCHBHAGINIXOG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)C(=O)NO)C(=O)NO
ACDLabs 12.01	C(=O)(NO)c1cccc(c1)C(NO)=O
CACTVS 3.385	ONC(=O)c1cccc(c1)C(=O)NO

Name:

N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide

ZINC:

ZINC000009871827

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).