BioLiP

PDB

BioLiP

PDB CCD ID:

5LN

Number of entries in BioLiP:

Chemical formula:

C2 H8 Cl O4 Ru

InChI:

InChI=1S/2CH3O.ClH.2H2O.Ru/c2*1-2;;;;/h2*2H,1H2;1H;2*1H2;/q;;;;;+3/p-3

InChIKey:

KMSYBSCWEKUGEO-UHFFFAOYSA-K

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C(O)[Ru](CO)(O)(O)Cl
CACTVS 3.385	OC[Ru](O)(O)(Cl)CO

Name:

chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium;
Ru(CO)2Cl(OH2)2

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).