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BioLiP

PDB CCD ID: 8AE
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N O2
InChI: InChI=1S/C12H15NO2/c13-12(14)10-4-6-11(7-5-10)15-8-9-2-1-3-9/h4-7,9H,1-3,8H2,(H2,13,14)
InChIKey: BFGNGDGWDOFCPT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)N)OCC2CCC2
CACTVS 3.385NC(=O)c1ccc(OCC2CCC2)cc1
Name:4-(cyclobutylmethoxy)benzamide
ChEMBL: CHEMBL5186967
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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