SEQ2FUN

BioLiP

PDB CCD ID: QIV
Number of entries in BioLiP: 4
Chemical formula: C9 H8 N2 O2 S
InChI: InChI=1S/C9H8N2O2S/c1-5(12)10-9-11-7-4-6(13)2-3-8(7)14-9/h2-4,13H,1H3,(H,10,11,12)
InChIKey: YOMAHEQEXVNJNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)Nc1nc2cc(ccc2s1)O
CACTVS 3.385CC(=O)Nc1sc2ccc(O)cc2n1
Name:N-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide
ChEMBL: CHEMBL4747967
ZINC: ZINC000584905666
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).