SEQ2FUN

BioLiP

PDB CCD ID: RMD
Number of entries in BioLiP: 2
Chemical formula: C19 H24 N O2 Rh
InChI: InChI=1S/C11H12NO2.C8H12.Rh/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9;1-2-4-6-8-7-5-3-1;/h1-4H,5-8H2;1-2,7-8H,3-6H2;
InChIKey: SZAWNSHHLUVDRC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[Rh]|1|2|3|4|5|6|7(|C8C|1C|2C|3(C|48)CCN9C(=O)CCC9=O)|C%10C|5CCC|6C|7CC%10
OpenEye OEToolkits 1.7.6C1CC2C3[Rh]245678(C1C4CC3)C9C5C6C7(C89)CCN1C(=O)CCC1=O
ACDLabs 12.01O=C1N(C(=O)CC1)CCC2%10C7C8C9C2[Rh]789%10456C3CCC6C5CCC34
Name:[(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}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).