SEQ2FUN

BioLiP

PDB CCD ID: 4YK
Number of entries in BioLiP: 0
Chemical formula: C16 H11 N O2 S
InChI: InChI=1S/C16H11NO2S/c1-19-9-6-7-10-12(8-9)17-16(18)15-14(10)11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18)
InChIKey: GPCQYADOLCARPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3
CACTVS 3.385COc1ccc2c(NC(=O)c3sc4ccccc4c23)c1
ACDLabs 12.01COc4cc3NC(=O)c2sc1ccccc1c2c3cc4
Name:3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
ChEMBL: CHEMBL1481095
ZINC: ZINC000008665929
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).