SEQ2FUN

BioLiP

PDB CCD ID: PFX
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)
InChIKey: RUVRGYVESPRHSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCOCCOCC(O)=O
OpenEye OEToolkits 2.0.7C(COCCOCC(=O)O)N
Name:2-[2-(2-azanylethoxy)ethoxy]ethanoic acid
ChEMBL: CHEMBL370260
ZINC: ZINC000001618813
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).