BioLiP

PDB

BioLiP

PDB CCD ID:

A1AP3

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O2

InChI:

InChI=1S/C10H11N3O2/c1-2-9-11-8(12-15-9)7-13-6-4-3-5-10(13)14/h3-6H,2,7H2,1H3

InChIKey:

LLAHWSDSLKVDNQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1onc(CN2C=CC=CC2=O)n1
OpenEye OEToolkits 2.0.7	CCc1nc(no1)CN2C=CC=CC2=O
ACDLabs 12.01	O=C1C=CC=CN1Cc1nc(CC)on1

Name:

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one

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).