BioLiP

PDB

BioLiP

PDB CCD ID:

RNC

Number of entries in BioLiP:

Chemical formula:

C11 H12 N6 O3

InChI:

InChI=1S/C11H12N6O3/c1-12-8-3-13-7(2-14-8)10(18)17-4-6(5-17)9-15-11(19)20-16-9/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16,19)

InChIKey:

YHUMVPIVKSGDRU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNc1cnc(cn1)C(=O)N2CC(C2)c3nc(on3)O
ACDLabs 12.01	CNc1ncc(nc1)C(=O)N1CC(C1)c1nc(O)on1
CACTVS 3.385	CNc1cnc(cn1)C(=O)N2CC(C2)c3noc(O)n3

Name:

[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone

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).