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BioLiP Library

PDB CCD ID: 9Y4
Number of entries in BioLiP: 3
Chemical formula: C16 H18 N2 O
InChI: InChI=1S/C16H18N2O/c1-13-7-9-14(10-8-13)11-18-16(19)12-17-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,18,19)
InChIKey: VRFYXFGMPCGHJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1ccc(cc1)CNC(=O)CNc1ccccc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)CNC(=O)CNc2ccccc2
CACTVS 3.385Cc1ccc(CNC(=O)CNc2ccccc2)cc1
Name:N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide
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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