BioLiP

PDB

BioLiP

PDB CCD ID:

OGO

Number of entries in BioLiP:

Chemical formula:

C20 H18 N2 O4

InChI:

InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23)

InChIKey:

CEVTZHLIFCWJPO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4ccccc34
OpenEye OEToolkits 2.0.7	COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4c3cccc4
ACDLabs 12.01	O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1

Name:

4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-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).