BioLiP

PDB

BioLiP

PDB CCD ID:

XEA

Number of entries in BioLiP:

Chemical formula:

C4 H6 N2 O

InChI:

InChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h4,6H,1-2H2

InChIKey:

NPVKKLZPJHCXFQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CON[C@@H]1C#N
CACTVS 3.385	N#C[C@@H]1CCON1
OpenEye OEToolkits 2.0.7	C1CONC1C#N
ACDLabs 12.01	N#CC1NOCC1
CACTVS 3.385	N#C[CH]1CCON1

Name:

(3R)-1,2-oxazolidine-3-carbonitrile

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).