BioLiP

PDB

BioLiP

PDB CCD ID:

ORS

Number of entries in BioLiP:

Chemical formula:

C10 H15 Cl2 Rh

InChI:

InChI=1S/C10H15.2ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q;;;+2/p-2

InChIKey:

QVLTVILSYOWFRM-UHFFFAOYSA-L

SMILES:

Software	SMILES
ACDLabs 12.01	C12(C)C3(C)C4(C)C5(C)C1(C)[Rh]2345(Cl)Cl
CACTVS 3.385	CC1C(C)C(C)C(C)C1C.Cl[Rh]Cl
OpenEye OEToolkits 2.0.7	CC12C3([Rh]145(C2(C4(C53C)C)C)(Cl)Cl)C

Name:

dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium

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).