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BioLiP

PDB CCD ID: T4J
Number of entries in BioLiP: 1
Chemical formula: C13 H16 N2 O2 S
InChI: InChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16)
InChIKey: GUMMRKWNILQOGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2
ACDLabs 12.01N1(CCSCC1)C(c2cccc(c2)NC(C)=O)=O
Name:N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
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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