BioLiP

PDB

BioLiP

PDB CCD ID:

RIR

Number of entries in BioLiP:

Chemical formula:

C10 H15 Ir

InChI:

InChI=1S/C10H15.Ir/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;

InChIKey:

VPSULBJUKFCKKU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC12=C3([Ir]145C2(=C4(C53C)C)C)C
ACDLabs 12.01	[Ir]1234C5(=C1(C2(C3(=C45C)C)C)C)C
CACTVS 3.385	CC1=C(C)C(C)([Ir])C(=C1C)C

Name:

[(1,2,3,4,5-Eta)-1,2,3,4,5-Pentamethylcyclopentadienyl]iridium(III)

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).