BioLiP

PDB

BioLiP

PDB CCD ID:

T9W

Number of entries in BioLiP:

Chemical formula:

C12 H10 N O5

InChI:

InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)/p-1

InChIKey:

DVXARNQLROBEQU-UHFFFAOYSA-M

SMILES:

Software	SMILES
CACTVS 3.385	[O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-]

Name:

2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate;
2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid

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).