BioLiP

PDB

BioLiP

PDB CCD ID:

A1JED

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O3

InChI:

InChI=1S/C15H15N3O3/c1-17-7-8-18-11(9-10-5-3-2-4-6-10)16-14(20)13(19)12(18)15(17)21/h2-6,19H,7-9H2,1H3

InChIKey:

RPOUCHBGKZYIOF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1CCN2C(=NC(=O)C(=C2C1=O)O)Cc3ccccc3

Name:

2-methyl-9-oxidanyl-6-(phenylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-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).