BioLiP

PDB

BioLiP

PDB CCD ID:

9V2

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O2

InChI:

InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m0/s1

InChIKey:

HAPOVYFOVVWLRS-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[C]1(C)CC(=O)NC1=O
OpenEye OEToolkits 2.0.6	CCC1(CC(=O)NC1=O)C
CACTVS 3.385	CC[C@@]1(C)CC(=O)NC1=O
OpenEye OEToolkits 2.0.6	CC[C@]1(CC(=O)NC1=O)C

Name:

(3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione

ZINC:

ZINC000001530805

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).