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BioLiP

PDB CCD ID: Y0L
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N O2
InChI: InChI=1S/C16H15NO2/c18-16(13-4-2-1-3-5-13)17-11-12-6-7-15-14(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18)
InChIKey: TVSXIFYVOOOJAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)NCc2ccc3c(c2)CCO3
ACDLabs 12.01O=C(NCc1cc2CCOc2cc1)c1ccccc1
CACTVS 3.385O=C(NCc1ccc2OCCc2c1)c3ccccc3
Name:N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide
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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