BioLiP

PDB

BioLiP

PDB CCD ID:

OX2

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O6

InChI:

InChI=1S/C9H14N2O6/c1-3-10-11-9(16-3)8-7(15)6(14)5(13)4(2-12)17-8/h4-8,12-15H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1

InChIKey:

HCSFWJQLIPWUFZ-JAJWTYFOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
CACTVS 3.341	Cc1oc(nn1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
CACTVS 3.341	Cc1oc(nn1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0	Cc1nnc(o1)C2C(C(C(C(O2)CO)O)O)O
ACDLabs 10.04	OC1C(O)C(O)C(OC1CO)c2nnc(o2)C

Name:

(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol;
2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE

ChEMBL:

CHEMBL540929

DrugBank:

DB03354

ZINC:

ZINC000016051658

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).