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BioLiP

PDB CCD ID: ORS
Number of entries in BioLiP: 1
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:
SoftwareSMILES
ACDLabs 12.01C12(C)C3(C)C4(C)C5(C)C1(C)[Rh]2345(Cl)Cl
CACTVS 3.385CC1C(C)C(C)C(C)C1C.Cl[Rh]Cl
OpenEye OEToolkits 2.0.7CC12C3([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, 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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