BioLiP

PDB

BioLiP

PDB CCD ID:

8WV

Number of entries in BioLiP:

Chemical formula:

C10 H10 Cl2 Os

InChI:

InChI=1S/C10H10.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10;;;/h8H,1-3H3;2*1H;/q;;;+2/p-2

InChIKey:

WKSPPTHHDBHBPQ-UHFFFAOYSA-L

SMILES:

Software	SMILES
ACDLabs 12.01	CC(C6=5C=1[Os]4326(Cl)(C=1C2(C)=C3C4=5)Cl)C
CACTVS 3.385	CC(C)C1=CC=C(C)C=C1.Cl[Os]Cl
OpenEye OEToolkits 2.0.6	CC(C)C12=C3[Os]1456(C2=C4C5(=C63)C)(Cl)Cl

Name:

dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium

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).