BioLiP

PDB

BioLiP

PDB CCD ID:

TJ1

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O2

InChI:

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

InChIKey:

MSHWTKGAZGNGGH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C1(=O)NC(=NO1)C(C)C
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(C)C1=NOC(=O)N1

Name:

3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one

ZINC:

ZINC000051690507

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).