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BioLiP

PDB CCD ID: 1HC
Number of entries in BioLiP: 4
Chemical formula: C3 H5 N O
InChI: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
InChIKey: HRPVXLWXLXDGHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C=CC(=O)N
ACDLabs 12.01O=C(\C=C)N
CACTVS 3.370NC(=O)C=C
Name:prop-2-enamide
ChEMBL: CHEMBL348107
ZINC: ZINC000000901075
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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