BioLiP

PDB

BioLiP

PDB CCD ID:

T9X

Number of entries in BioLiP:

Chemical formula:

C9 H15 N3 O

InChI:

InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1

InChIKey:

WKTDGUSTKNDUEI-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)c1onc(n1)[CH]2CCCN2
OpenEye OEToolkits 2.0.7	CC(C)c1nc(no1)[C@@H]2CCCN2
ACDLabs 12.01	CC(C)c1nc(no1)C1NCCC1
OpenEye OEToolkits 2.0.7	CC(C)c1nc(no1)C2CCCN2
CACTVS 3.385	CC(C)c1onc(n1)[C@@H]2CCCN2

Name:

5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

ZINC:

ZINC000070158428

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).