SEQ2FUN

BioLiP

PDB CCD ID: IQ5
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3 O S
InChI: InChI=1S/C10H11N3OS/c1-5-3-9-8(13-10(11)15-9)4-7(5)12-6(2)14/h3-4H,1-2H3,(H2,11,13)(H,12,14)
InChIKey: DUWIACCTNKYBNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cc2nc(N)sc2cc1C
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1NC(=O)C)nc(s2)N
Name:N-(2-AZANYL-6-METHYL-1,3-BENZOTHIAZOL-5-YL)ETHANAMIDE
ZINC: ZINC000000330509
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).