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BioLiP

PDB CCD ID: 6AC
Number of entries in BioLiP: 0
Chemical formula: C3 H3 N
InChI: InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InChIKey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N#C\C=C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		C=CC#N
Name:prop-2-enenitrile;
Acrylonitrile
ChEMBL: CHEMBL445612
ZINC: ZINC000000901212
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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