SEQ2FUN

BioLiP

PDB CCD ID: EI7
Number of entries in BioLiP: 6
Chemical formula: C6 H8 N2 O2
InChI: InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChIKey: ZXRVKCBLGJOCEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CNCC2=C1C(=O)NO2
CACTVS 3.385O=C1NOC2=C1CCNC2
Name:4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one;
gaboxadol
ChEMBL: CHEMBL312443
DrugBank: DB06554
ZINC: ZINC000019795995

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).