BioLiP

PDB

BioLiP

PDB CCD ID:

UWI

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)

InChIKey:

DGOYLVBDCVINQZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	NC(=O)C1CCOCC1
OpenEye OEToolkits 2.0.7	C1COCCC1C(=O)N

Name:

oxane-4-carboxamide

ZINC:

ZINC000012471322

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).