SEQ2FUN

BioLiP

PDB CCD ID: FF2
Number of entries in BioLiP: 8
Chemical formula: C9 H6 Cl N O2 S
InChI: InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12)
InChIKey: IHGVZTXLHUWVIA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc(s2)C(=O)NO)c(c1)Cl
CACTVS 3.385ONC(=O)c1sc2cccc(Cl)c2c1
Name:4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide
ChEMBL: CHEMBL2403448
ZINC: ZINC000096924290

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).