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BioLiP

PDB CCD ID: CYI
Number of entries in BioLiP: 3
Chemical formula: C7 H11 N
InChI: InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2
InChIKey: XYZMOVWWVXBHDP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[C-]#[N+]C1CCCCC1
ACDLabs 10.04isocyanocyclohexane
Name:CYCLOHEXYL ISOCYANIDE
ZINC: ZINC000056871345
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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