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BioLiP

PDB CCD ID: ZP8
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N3 O2
InChI: InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)
InChIKey: QDZGVYBBITWTIU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CN(CCC1C(=O)N)C(=O)CC#N
CACTVS 3.385NC(=O)C1CCN(CC1)C(=O)CC#N
Name:1-(2-cyanoethanoyl)piperidine-4-carboxamide
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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