SEQ2FUN

BioLiP

PDB CCD ID: AOA
Number of entries in BioLiP: 6
Chemical formula: C2 H5 N O3
InChI: InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
InChIKey: NQRKYASMKDDGHT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CON
OpenEye OEToolkits 1.5.0C(C(=O)O)ON
CACTVS 3.341NOCC(O)=O
Name:(AMINOOXY)ACETIC ACID
ChEMBL: CHEMBL347862
DrugBank: DB02079
ZINC: ZINC000004689151
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).