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BioLiP Library

PDB CCD ID: 98C
Number of entries in BioLiP: 2
Chemical formula: C18 H22 N2 O3
InChI: InChI=1S/C18H22N2O3/c1-22-16-7-3-14(4-8-16)11-19-13-18(21)20-12-15-5-9-17(23-2)10-6-15/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKey: RXVZBFSJKBZCTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC
ACDLabs 12.01
CACTVS 3.385		COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1
Name:N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
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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