BioLiP

PDB

BioLiP

PDB CCD ID:

U0J

Number of entries in BioLiP:

Chemical formula:

C19 H16 Cl2 N2 Ru

InChI:

InChI=1S/C19H17N2.2ClH.Ru/c1-20-10-11-21(14-20)13-19-17-8-4-2-6-15(17)12-16-7-3-5-9-18(16)19;;;/h2-12,14H,13H2,1H3;2*1H;/q;;;+2/p-2

InChIKey:

KISMSSNGIFBOOC-UHFFFAOYSA-L

SMILES:

Software	SMILES
ACDLabs 12.01	C4=CN(Cc2c1ccccc1cc3ccccc23)C(N4C)[Ru](Cl)Cl
OpenEye OEToolkits 2.0.7	CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4
CACTVS 3.385	CN1CN(Cc2c3ccccc3cc4ccccc24)C=C1.Cl[Ru]Cl

Name:

{(2R)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1H-imidazol-2-yl}(dichloro)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).