SEQ2FUN

BioLiP

PDB CCD ID: TAY
Number of entries in BioLiP: 2
Chemical formula: C5 H11 N O
InChI: InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
InChIKey: XIPFMBOWZXULIA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)(C)C(=O)N
CACTVS 3.352CC(C)(C)C(N)=O
Name:2,2-dimethylpropanamide;
Trimethylacetamide
ChEMBL: CHEMBL345235
ZINC: ZINC000000167037
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).