SEQ2FUN

BioLiP

PDB CCD ID: RXO
Number of entries in BioLiP: 2
Chemical formula: C6 H6 As N O3
InChI: InChI=1S/C6H6AsNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2
InChIKey: POYWCBSQXBGKKH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1[AsH2])[N+](=O)[O-])O
ACDLabs 12.01O=[N+]([O-])c1cc(ccc1O)[AsH2]
CACTVS 3.385Oc1ccc([AsH2])cc1[N+]([O-])=O
Name:4-arsanyl-2-nitrophenol
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).