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BioLiP

PDB CCD ID: CAD
Number of entries in BioLiP: 4
Chemical formula: C2 H7 As O2
InChI: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
InChIKey: OGGXGZAMXPVRFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=[As](O)(C)C
OpenEye OEToolkits 1.5.0C[As](=O)(C)O
CACTVS 3.341C[As](C)(O)=O
Name:CACODYLIC ACID;
HYDROXYDIMETHYLARSINE OXIDE
ChEMBL: CHEMBL1231644
DrugBank: DB02994
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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