BioLiP

PDB

BioLiP

PDB CCD ID:

A1HZ7

Number of entries in BioLiP:

Chemical formula:

C13 H11 Cl N2 O3

InChI:

InChI=1S/C13H11ClN2O3/c14-9-4-2-1-3-8(9)10-7-13(19-16-10)6-5-11(17)15-12(13)18/h1-4H,5-7H2,(H,15,17,18)/t13-/m0/s1

InChIKey:

BUCCPXBJMQOJMQ-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C2=NO[C@]3(C2)CCC(=O)NC3=O)Cl
CACTVS 3.385	Clc1ccccc1C2=NO[C]3(CCC(=O)NC3=O)C2
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C2=NOC3(C2)CCC(=O)NC3=O)Cl
CACTVS 3.385	Clc1ccccc1C2=NO[C@@]3(CCC(=O)NC3=O)C2

Name:

(5~{S})-3-(2-chlorophenyl)-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).