BioLiP

PDB

BioLiP

PDB CCD ID:

A1HZ6

Number of entries in BioLiP:

Chemical formula:

C14 H14 N2 O4

InChI:

InChI=1S/C14H14N2O4/c1-19-11-5-3-2-4-9(11)10-8-14(20-16-10)7-6-12(17)15-13(14)18/h2-5H,6-8H2,1H3,(H,15,17,18)/t14-/m0/s1

InChIKey:

VINFHGWFKCWIPO-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccccc1C2=NO[C@]3(C2)CCC(=O)NC3=O
CACTVS 3.385	COc1ccccc1C2=NO[C@@]3(CCC(=O)NC3=O)C2
OpenEye OEToolkits 2.0.7	COc1ccccc1C2=NOC3(C2)CCC(=O)NC3=O
CACTVS 3.385	COc1ccccc1C2=NO[C]3(CCC(=O)NC3=O)C2

Name:

(5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

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).