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BioLiP

PDB CCD ID: 9EW
Number of entries in BioLiP: 3
Chemical formula: C7 H5 N O2
InChI: InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChIKey: QLDQYRDCPNBPII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(no2)O
CACTVS 3.385Oc1noc2ccccc12
Name:1,2-benzoxazol-3-ol
ChEMBL: CHEMBL444173
ZINC: ZINC000003588816
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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