BioLiP

PDB

BioLiP

PDB CCD ID:

XH5

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O2

InChI:

InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1

InChIKey:

NBAKTGXDIBVZOO-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[C@H]1CNC(=O)NC1=O
ACDLabs 12.01	O=C1NC(=O)C(C)CN1
OpenEye OEToolkits 2.0.7	CC1CNC(=O)NC1=O
CACTVS 3.385	C[CH]1CNC(=O)NC1=O

Name:

(5S)-5-methyl-1,3-diazinane-2,4-dione

ZINC:

ZINC000006481415

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).