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BioLiP

PDB CCD ID: 8WV
Number of entries in BioLiP: 1
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:
SoftwareSMILES
ACDLabs 12.01CC(C6=5C=1[Os]4326(Cl)(C=1C2(C)=C3C4=5)Cl)C
CACTVS 3.385CC(C)C1=CC=C(C)C=C1.Cl[Os]Cl
OpenEye OEToolkits 2.0.6CC(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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