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BioLiP

PDB CCD ID: 1O7
Number of entries in BioLiP: 1
Chemical formula: C13 H11 N O2 S
InChI: InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)
InChIKey: LKASVOXYBOMEHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOc1ccc2c(c1)-c3ccsc3NC2=O
CACTVS 3.385CCOc1ccc2C(=O)Nc3sccc3c2c1
Name:8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
ChEMBL: CHEMBL5091585
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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