SEQ2FUN

BioLiP

PDB CCD ID: A1AKL
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N3 O S
InChI: InChI=1S/C11H17N3OS/c1-9(15)13-11-12-7-10(16-11)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,15)
InChIKey: WQUWVCYQJKWKDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1sc(CN2CCCCC2)cn1
ACDLabs 12.01O=C(C)Nc1ncc(CN2CCCCC2)s1
OpenEye OEToolkits 2.0.7CC(=O)Nc1ncc(s1)CN2CCCCC2
Name:N-{5-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}acetamide
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).