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BioLiP

PDB CCD ID: A1AIV
Number of entries in BioLiP: 44
Chemical formula: C4 H8 N2
InChI: InChI=1S/C4H8N2/c5-3-1-2-4-6/h1-3,5H2
InChIKey: XGYKKVTZDQDYJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC#N)CN
CACTVS 3.385NCCCC#N
ACDLabs 12.01N#CCCCN
Name:4-aminobutanenitrile
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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