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BioLiP

PDB CCD ID: BAQ
Number of entries in BioLiP: 14
Chemical formula: C4 H7 N O
InChI: InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKey: HNJBEVLQSNELDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O=C1CCCN1
ACDLabs 12.01O=C1NCCC1
OpenEye OEToolkits 1.7.6C1CC(=O)NC1
Name:pyrrolidin-2-one
ChEMBL: CHEMBL276849
ZINC: ZINC000014684428
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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