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BioLiP

PDB CCD ID: V2W
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N O3
InChI: InChI=1S/C16H15NO3/c1-20-15-8-4-12(5-9-15)10-17-16(19)14-6-2-13(11-18)3-7-14/h2-9,11H,10H2,1H3,(H,17,19)
InChIKey: SCOZUTCGYBXUCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O
CACTVS 3.385COc1ccc(CNC(=O)c2ccc(C=O)cc2)cc1
Name:4-methanoyl-~{N}-[(4-methoxyphenyl)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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