BioLiP

PDB

BioLiP

PDB CCD ID:

PK8

Number of entries in BioLiP:

Chemical formula:

C5 H4 N O S Zn

InChI:

InChI=1S/C5H5NOS.Zn/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+2/p-1

InChIKey:

PURMLSMXFJKREH-UHFFFAOYSA-M

SMILES:

Software	SMILES
CACTVS 3.385	O1[Zn]Sc2cccc[n+]12
OpenEye OEToolkits 2.0.7	c1cc[n+]2c(c1)S[Zn]O2

Name:

9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene

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).