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BioLiP

PDB CCD ID: OXZ
Number of entries in BioLiP: 6
Chemical formula: C5 H11 N O4
InChI: InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKey: KHVCOYGKHDJPBZ-WDCZJNDASA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OC1C(ONCC1O)CO
CACTVS 3.341OC[C@H]1ONC[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1C(C(C(ON1)CO)O)O
CACTVS 3.341OC[CH]1ONC[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H](ON1)CO)O)O
Name:TETRAHYDROOXAZINE
ChEMBL: CHEMBL1213467
DrugBank: DB03862
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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