BioLiP

PDB

BioLiP

PDB CCD ID:

1N2

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O4

InChI:

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

InChIKey:

ZFMTZVFTWHQGNQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1CCC(N1CCN2C(=O)CCC2=O)=O
CACTVS 3.385	O=C1CCC(=O)N1CCN2C(=O)CCC2=O
OpenEye OEToolkits 1.9.2	C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O

Name:

1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione

ZINC:

ZINC000138455635

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).