BioLiP

PDB

BioLiP

PDB CCD ID:

YDU

Number of entries in BioLiP:

Chemical formula:

C10 H15 N3 O2

InChI:

InChI=1S/C10H15N3O2/c1-7-11-10(15-13-7)12-9(14)6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,11,12,13,14)

InChIKey:

BXPGKHXJBBUYFC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nc(on1)NC(=O)CC2CCCC2
CACTVS 3.385	Cc1noc(NC(=O)CC2CCCC2)n1
ACDLabs 12.01	O=C(Nc1nc(C)no1)CC1CCCC1

Name:

2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

ZINC:

ZINC000048699782

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).