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BioLiP

PDB CCD ID: H5J
Number of entries in BioLiP: 3
Chemical formula: C7 H4 N2 O3
InChI: InChI=1S/C7H4N2O3/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H
InChIKey: TWOYWCWKYDYTIP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[N](=O)c1ccc2oncc2c1
OpenEye OEToolkits 2.0.6c1cc2c(cc1N(=O)=O)cno2
ACDLabs 12.01O=N(c2cc1cnoc1cc2)=O
Name:5-nitro-1,2-benzoxazole
ChEMBL: CHEMBL313378
ZINC: ZINC000006094227
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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