BioLiP

PDB

BioLiP

PDB CCD ID:

A1BZM

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 O5

InChI:

InChI=1S/C12H12N2O5/c1-19-9-5-6(2-3-8(9)15)4-7-10(16)13-12(18)14-11(7)17/h2-3,5,7,15H,4H2,1H3,(H2,13,14,16,17,18)

InChIKey:

NMORDWBHFQWWLA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	COc1cc(ccc1O)CC2C(=O)NC(=O)NC2=O
CACTVS 3.385	COc1cc(CC2C(=O)NC(=O)NC2=O)ccc1O
ACDLabs 14.52	O=C1NC(=O)NC(=O)C1Cc1ccc(O)c(OC)c1

Name:

5-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

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).