SEQ2FUN

BioLiP

PDB CCD ID: RAX
Number of entries in BioLiP: 4
Chemical formula: C13 H20 Cl2 N3 P Ru
InChI: InChI=1S/C7H8.C6H12N3P.2ClH.Ru/c1-7-5-3-2-4-6-7;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h2-6H,1H3;1-6H2;2*1H;/q;;;;+1/p-1
InChIKey: HQZSVEABAKKRLM-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl
CACTVS 3.385Cc1ccccc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4
Name:dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium
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).