SEQ2FUN

BioLiP

PDB CCD ID: 6T4
Number of entries in BioLiP: 1
Chemical formula: C6 H8 N2 O S
InChI: InChI=1S/C6H8N2OS/c1-4-3-10-6(7-4)8-5(2)9/h3H,1-2H3,(H,7,8,9)
InChIKey: DPDJXTANWGNJOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1scc(C)n1
OpenEye OEToolkits 2.0.5Cc1csc(n1)NC(=O)C
Name:~{N}-(4-methyl-1,3-thiazol-2-yl)ethanamide
ChEMBL: CHEMBL71189
ZINC: ZINC000000074157
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).