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BioLiP Library

PDB CCD ID: 5WX
Number of entries in BioLiP: 4
Chemical formula: C8 H8 N2 O2
InChI: InChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)
InChIKey: YFNIGSJHKGKXEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4COc1cccc2c1c(no2)N
CACTVS 3.385COc1cccc2onc(N)c12
Name:4-methoxy-1,2-benzoxazol-3-amine
ChEMBL: CHEMBL3775669
ZINC: ZINC000000161909
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)(download the PDF file).
  • 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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