SEQ2FUN

BioLiP

PDB CCD ID: A1BM4
Number of entries in BioLiP: 2
Chemical formula: C10 H14 N2 O2 S
InChI: InChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-9(13)8-2-4-14-5-3-8/h6,8H,2-5H2,1H3,(H,11,12,13)
InChIKey: QIRPROGVHFZLPG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1csc(n1)NC(=O)C2CCOCC2
ACDLabs 14.52
CACTVS 3.385		Cc1csc(NC(=O)C2CCOCC2)n1
Name:N-(4-methyl-1,3-thiazol-2-yl)oxane-4-carboxamide
ChEMBL: CHEMBL5013924
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).