BioLiP

PDB

BioLiP

PDB CCD ID:

A1IXK

Number of entries in BioLiP:

Chemical formula:

C14 H11 N Ru S

InChI:

InChI=1S/C14H11NS.Ru/c1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15;/h1-9H,10H2;

InChIKey:

XEBROALTMNVDDE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2c3ccccc3SC2=[Ru]
CACTVS 3.385	[Ru]=C1Sc2ccccc2N1Cc3ccccc3

Name:

[3-(phenylmethyl)-1,3-benzothiazol-2-ylidene]ruthenium

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).