BioLiP

PDB

BioLiP

PDB CCD ID:

A1IGP

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O2

InChI:

InChI=1S/C10H11NO2/c12-9-6-11(7-9)10(13)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2

InChIKey:

MQPNDHHRMVRTCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC1CN(C1)C(=O)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)N2CC(C2)O

Name:

(3-oxidanylazetidin-1-yl)-phenyl-methanone

ChEMBL:

CHEMBL4526663

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).