SEQ2FUN

BioLiP

PDB CCD ID: ME3
Number of entries in BioLiP: 1
Chemical formula: C26 H18 N3 O6 Ru
InChI: InChI=1S/C17H9N3O3.C8H9O2.CHO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2-10-8(9)7-5-3-4-6-7;1-2;/h1-6H,(H3,18,19,20,21,22,23);3-6H,2H2,1H3;1H;/q;;;+1/p-1
InChIKey: PFOCZSJQLYFAHF-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)C12C3[Ru]1456(C3C4C52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#O
CACTVS 3.385CCOC(=O)C1CCCC1.Oc2ccc3n([Ru])c4c5ncccc5c6C(=O)NC(=O)c6c4c3c2.C#[O]
Name:RUTHENIUM-PYRIDOCARBAZOLE-3
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).