BioLiP

PDB

BioLiP

PDB CCD ID:

7BJ

Number of entries in BioLiP:

Chemical formula:

C16 H19 F N2 O3

InChI:

InChI=1S/C16H19FN2O3/c17-12-4-6-13(7-5-12)22-11-10-19-14(20)16(18-15(19)21)8-2-1-3-9-16/h4-7H,1-3,8-11H2,(H,18,21)

InChIKey:

WWRSQXLLQVERHE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(OCCN2C(=O)NC3(CCCCC3)C2=O)cc1
OpenEye OEToolkits 2.0.6	c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F

Name:

3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

ChEMBL:

CHEMBL3908555

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).