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BioLiP

PDB CCD ID: Y0S
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N O S
InChI: InChI=1S/C13H13NOS/c1-10-7-8-16-12(10)9-14-13(15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
InChIKey: WNIZEKJOPGQRGN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccsc1CNC(=O)c2ccccc2
ACDLabs 12.01Cc1ccsc1CNC(=O)c1ccccc1
Name:N-[(3-methylthiophen-2-yl)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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