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BioLiP

PDB CCD ID: 6O0
Number of entries in BioLiP: 3
Chemical formula: C8 H14 Au Cl N2
InChI: InChI=1S/C8H14N2.Au.ClH/c1-3-4-5-10-7-6-9(2)8-10;;/h6-7H,3-5H2,1-2H3;;1H/q;+1;/p-1
InChIKey: VPJMTYLCIKLAAU-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
ACDLabs 12.01C=1N(CCCC)C(\N(C=1)C)=[Au]\Cl
CACTVS 3.385CCCCN1C=CN(C)C1=[Au]Cl
OpenEye OEToolkits 2.0.4CCCCN1C=CN(C1=[Au]Cl)C
Name:(1-butyl-3-methyl-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold
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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