SEQ2FUN

BioLiP

PDB CCD ID: SQ6
Number of entries in BioLiP: 0
Chemical formula: C4 H7 N O4
InChI: InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
InChIKey: NBZBKCUXIYYUSX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C(=O)O)NCC(=O)O
CACTVS 3.385OC(=O)CNCC(O)=O
ACDLabs 12.01O=C(O)CNCC(=O)O
Name:2,2'-azanediyldiacetic acid
ChEMBL: CHEMBL461164
ZINC: ZINC000001769275
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).