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BioLiP

PDB CCD ID: 9NB
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O2 S
InChI: InChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13)
InChIKey: WBJOQROPHCHERE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)c1ccc(cc1)NC(=O)CS
CACTVS 3.385CC(=O)c1ccc(NC(=O)CS)cc1
Name:~{N}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide
ChEMBL: CHEMBL4640494
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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