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BioLiP

PDB CCD ID: 0UI
Number of entries in BioLiP: 1
Chemical formula: C11 H7 N O2 S
InChI: InChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14)
InChIKey: UYVFDEFXTXVVAF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2C(=O)Nc3sccc3c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1O)-c3ccsc3NC2=O
Name:8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
ChEMBL: CHEMBL5077731
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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