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BioLiP Library

PDB CCD ID: ZLI
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N O S
InChI: InChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)10-15-14(16)9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKey: CWLVAWNDMFRWPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)CNC(=O)Cc2cccs2
CACTVS 3.385Cc1ccc(CNC(=O)Cc2sccc2)cc1
Name:~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide
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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