BioLiP

PDB

BioLiP

PDB CCD ID:

A1I4N

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O2

InChI:

InChI=1S/C10H10N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,13,14)

InChIKey:

IYBINJWRHRKLTJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CCC(=O)NC2=O
CACTVS 3.385	O=C1CCN(C(=O)N1)c2ccccc2

Name:

1-phenyl-1,3-diazinane-2,4-dione

ChEMBL:

CHEMBL5395746

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).