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BioLiP Library

PDB CCD ID: 7BJ
Number of entries in BioLiP: 1
Chemical formula: C16 H19 F N2 O3
InChI: InChI=1S/C16H19FN2O3/c17-12-4-6-13(7-5-12)22-11-10-19-14(20)16(18-15(19)21)8-2-1-3-9-16/h4-7H,1-3,8-11H2,(H,18,21)
InChIKey: WWRSQXLLQVERHE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(OCCN2C(=O)NC3(CCCCC3)C2=O)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F
Name:3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
ChEMBL: CHEMBL3908555
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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