SEQ2FUN

BioLiP

PDB CCD ID: HDA
Number of entries in BioLiP: 23
Chemical formula: C3 H5 N O4
InChI: InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
InChIKey: URJHVPKUWOUENU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370ON(CC(O)=O)C=O
ACDLabs 12.01O=C(O)CN(O)C=O
OpenEye OEToolkits 1.7.0C(C(=O)O)N(C=O)O
Name:HADACIDIN
ChEMBL: CHEMBL331373
DrugBank: DB02109
ZINC: ZINC000001482078
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).