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BioLiP

PDB CCD ID: HIO
Number of entries in BioLiP: 16
Chemical formula: C5 H9 N O4
InChI: InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)
InChIKey: QVIOSGUKMDGWNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)N(C(=O)C(=O)O)O
ACDLabs 10.04O=C(O)C(=O)N(O)C(C)C
CACTVS 3.341CC(C)N(O)C(=O)C(O)=O
Name:N-HYDROXY-N-ISOPROPYLOXAMIC ACID
ChEMBL: CHEMBL1233331
DrugBank: DB03387
ZINC: ZINC000005298708
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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