BioLiP

PDB

BioLiP

PDB CCD ID:

A1JUV

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O2

InChI:

InChI=1S/C13H13NO2/c1-2-3-8-16-12-9-10-6-4-5-7-11(10)14-13(12)15/h2,4-7,9H,1,3,8H2,(H,14,15)

InChIKey:

UXVYMABGLCMKCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C=CCCOC1=Cc2ccccc2NC1=O

Name:

3-but-3-enoxy-1~{H}-quinolin-2-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).