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BioLiP

PDB CCD ID: RV4
Number of entries in BioLiP: 2
Chemical formula: C13 H18 N2 O2
InChI: InChI=1S/C13H18N2O2/c1-11(16)14-13-4-2-12(3-5-13)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)
InChIKey: KFRGDVNNAPFDCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc(CN2CCOCC2)cc1
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccc(cc1)CN2CCOCC2
ACDLabs 12.01N(C(C)=O)c1ccc(cc1)CN2CCOCC2
Name:N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide
ZINC: ZINC000019633913
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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