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BioLiP

PDB CCD ID: G18
Number of entries in BioLiP: 6
Chemical formula: C11 H7 N O S
InChI: InChI=1S/C11H7NOS/c13-10-8-4-2-1-3-7(8)9-5-6-14-11(9)12-10/h1-6H,(H,12,13)
InChIKey: LQJVOLSLAFIXSV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2c(c1)-c3ccsc3NC2=O
CACTVS 3.385O=C1Nc2sccc2c3ccccc13
ACDLabs 12.01O=C2c3c(c1c(scc1)N2)cccc3
Name:4H-thieno[2,3-c]isoquinolin-5-one
ChEMBL: CHEMBL3108871
ZINC: ZINC000000003266
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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