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BioLiP

PDB CCD ID: ICC
Number of entries in BioLiP: 6
Chemical formula: C6 H11 N O
InChI: InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey: JBKVHLHDHHXQEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(=O)NCC1
CACTVS 3.341O=C1CCCCCN1
ACDLabs 10.04O=C1NCCCCC1
Name:azepan-2-one
ChEMBL: CHEMBL276218
ZINC: ZINC000005133576
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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