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BioLiP

PDB CCD ID: XHD
Number of entries in BioLiP: 6
Chemical formula: C3 H4 N2 O
InChI: InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
InChIKey: DGJMPUGMZIKDRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C#N)C(=O)N
ACDLabs 12.01N#CCC(N)=O
CACTVS 3.385NC(=O)CC#N
Name:2-cyanoacetamide
ChEMBL: CHEMBL2333142
ZINC: ZINC000001504306
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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