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BioLiP

PDB CCD ID: NBN
Number of entries in BioLiP: 3
Chemical formula: C5 H9 N
InChI: InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3
InChIKey: FSBLVBBRXSCOKU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCC[N+]#[C-]
isocyanide
Name:N-BUTYL ISOCYANIDE
DrugBank: DB01826
ZINC: ZINC000053683318
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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