SEQ2FUN

BioLiP

PDB CCD ID: 7QQ
Number of entries in BioLiP: 4
Chemical formula: C10 H10 N2 O2 S
InChI: InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-8-5-7(14-2)3-4-9(8)15-10/h3-5H,1-2H3,(H,11,12,13)
InChIKey: ZKNFVQNHIHCHEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)Nc1nc2cc(ccc2s1)OC
CACTVS 3.385COc1ccc2sc(NC(C)=O)nc2c1
Name:N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide
ChEMBL: CHEMBL1532203
ZINC: ZINC000000319631
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).