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BioLiP

PDB CCD ID: ASR
Number of entries in BioLiP: 2
Chemical formula: C6 H8 As N O3
InChI: InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
InChIKey: XKNKHVGWJDPIRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1ccc(cc1)[As](O)(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1N)[As](=O)(O)O
ACDLabs 10.04O=[As](O)(O)c1ccc(N)cc1
Name:4-AMINOPHENYLARSONIC ACID
ChEMBL: CHEMBL351769
DrugBank: DB03006
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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