BioLiP

PDB

BioLiP

PDB CCD ID:

6VD

Number of entries in BioLiP:

Chemical formula:

C11 H11 N O

InChI:

InChI=1S/C11H11NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h3-7H,2H2,1H3,(H,12,13)

InChIKey:

YBKUKKHOCTXYGB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCc1cc(c2ccccc2n1)O
CACTVS 3.385	CCc1cc(O)c2ccccc2n1

Name:

2-ETHYL-4(1H)-QUINOLINONE

ZINC:

ZINC000034435461

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).