BioLiP

PDB

BioLiP

PDB CCD ID:

HBO

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1ccc2c(c1)O[C@H](C(=O)N2O)O
ACDLabs 10.04	O=C1N(O)c2c(OC1O)cc(OC)cc2
CACTVS 3.341	COc1ccc2N(O)C(=O)[C@H](O)Oc2c1
OpenEye OEToolkits 1.5.0	COc1ccc2c(c1)OC(C(=O)N2O)O
CACTVS 3.341	COc1ccc2N(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, 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).