BioLiP

PDB

BioLiP

PDB CCD ID:

N29

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O2

InChI:

InChI=1S/C7H10N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h4H,3H2,1-2H3,(H,8,9,10)

InChIKey:

VRJWVNPGPFJWQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC(=O)Nc1cc(on1)C
CACTVS 3.385	CCC(=O)Nc1cc(C)on1

Name:

~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide

ZINC:

ZINC000005428039

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).