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BioLiP

PDB CCD ID: L3Q
Number of entries in BioLiP: 1
Chemical formula: C6 H10 N2 O2
InChI: InChI=1S/C6H10N2O2/c9-6-8-2-1-7-3-5(8)4-10-6/h5,7H,1-4H2/t5-/m0/s1
InChIKey: SWKVQJQPSGTEBD-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1OC[C@@H]2CNCCN12
CACTVS 3.385O=C1OC[CH]2CNCCN12
OpenEye OEToolkits 2.0.7C1CN2[C@@H](CN1)COC2=O
OpenEye OEToolkits 2.0.7C1CN2C(CN1)COC2=O
Name:(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
ZINC: ZINC000016697980
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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