BioLiP

PDB

BioLiP

PDB CCD ID:

TQC

Number of entries in BioLiP:

Chemical formula:

C10 H12 N4 O

InChI:

InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3

InChIKey:

OPUWQKONOBGDBJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1ccnc1c2noc(n2)C3CCC3
ACDLabs 12.01	Cn1ccnc1c1nc(on1)C1CCC1
OpenEye OEToolkits 2.0.7	Cn1ccnc1c2nc(on2)C3CCC3

Name:

(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole

ZINC:

ZINC000225596080

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).