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BioLiP

PDB CCD ID: REQ
Number of entries in BioLiP: 20
Chemical formula: C17 H12 N2 O3 Re
InChI: InChI=1S/C14H12N2.3CO.Re/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;3*1-2;/h3-8H,1-2H3;;;;
InChIKey: SINYNGNXCUIFTB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O
CACTVS 3.370[Re]|1(|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n2ccc(C)c3ccc4c(C)ccn|1c4c23
Name:(1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
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).
  • 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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