BioLiP

PDB

BioLiP

PDB CCD ID:

A1IR3

Number of entries in BioLiP:

Chemical formula:

C13 H12 N2 O2

InChI:

InChI=1S/C13H12N2O2/c16-12-8-11(9-6-7-9)14-13(17)15(12)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,17)

InChIKey:

YSTWXKANMCMRMR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2C(=O)C=C(NC2=O)C3CC3
CACTVS 3.385	O=C1NC(=CC(=O)N1c2ccccc2)C3CC3

Name:

6-cyclopropyl-3-phenyl-1~{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).