BioLiP

PDB

BioLiP

PDB CCD ID:

L3Q

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	O=C1OC[C@@H]2CNCCN12
CACTVS 3.385	O=C1OC[CH]2CNCCN12
OpenEye OEToolkits 2.0.7	C1CN2[C@@H](CN1)COC2=O
OpenEye OEToolkits 2.0.7	C1CN2C(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, 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).