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BioLiP Library

PDB CCD ID: HBO
Number of entries in BioLiP: 8
Chemical formula: C9 H9 N O5
InChI: InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1
InChIKey: GDNZNIJPBQATCZ-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc2c(c1)O[C@H](C(=O)N2O)O
ACDLabs 10.04O=C1N(O)c2c(OC1O)cc(OC)cc2
CACTVS 3.341COc1ccc2N(O)C(=O)[C@H](O)Oc2c1
OpenEye OEToolkits 1.5.0COc1ccc2c(c1)OC(C(=O)N2O)O
CACTVS 3.341COc1ccc2N(O)C(=O)[CH](O)Oc2c1
Name:2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE
DrugBank: DB02185
ZINC: ZINC000002018620
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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