SEQ2FUN

BioLiP

PDB CCD ID: WLG
Number of entries in BioLiP: 3
Chemical formula: C10 H15 F2 N O2
InChI: InChI=1S/C10H15F2NO2/c11-9(12)15-6-8(14)13-5-1-2-10(7-13)3-4-10/h9H,1-7H2
InChIKey: QAUGUVLOVUPMNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC2(CC2)CN(C1)C(=O)COC(F)F
CACTVS 3.385FC(F)OCC(=O)N1CCCC2(CC2)C1
ACDLabs 12.01C2CN(CC1(CC1)C2)C(COC(F)F)=O
Name:1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one
ZINC: ZINC000334457859
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).