SEQ2FUN

BioLiP

PDB CCD ID: T7A
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O2 S
InChI: InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-9-7(14-2)4-3-5-8(9)15-10/h3-5H,1-2H3,(H,11,12,13)
InChIKey: AQDZPXNDPBKKSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1nc2c(cccc2s1)OC
CACTVS 3.385COc1cccc2sc(NC(C)=O)nc12
ACDLabs 12.01n2c1c(cccc1OC)sc2NC(C)=O
Name:N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
ChEMBL: CHEMBL4759082
ZINC: ZINC000000181061
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).