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BioLiP Library

PDB CCD ID: B0V
Number of entries in BioLiP: 5
Chemical formula: C12 H17 N O2
InChI: InChI=1S/C12H17NO2/c1-8-5-9(2)12(10(3)6-8)13-11(14)7-15-4/h5-6H,7H2,1-4H3,(H,13,14)
InChIKey: XZMRSYKEMFCZKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(c(c(c1)C)NC(=O)COC)C
CACTVS 3.385COCC(=O)Nc1c(C)cc(C)cc1C
Name:2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide
ZINC: ZINC000000363473
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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