BioLiP

PDB

BioLiP

PDB CCD ID:

M1Z

Number of entries in BioLiP:

Chemical formula:

C8 H11 N3 O2

InChI:

InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13)

InChIKey:

VVOJYMDKNPHWLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CCN(C1)C2=NC(=O)NC(=O)C2
CACTVS 3.385	O=C1CC(=NC(=O)N1)N2CCCC2

Name:

6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione

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).