BioLiP

PDB

BioLiP

PDB CCD ID:

AKS

Number of entries in BioLiP:

Chemical formula:

C12 H21 N O

InChI:

InChI=1S/C12H21NO/c1-3-5-7-9-11-13-12(14)10-8-6-4-2/h1H,4-11H2,2H3,(H,13,14)

InChIKey:

CJZDJNGNVAVPMZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCCC(=O)NCCCCC#C
ACDLabs 12.01	C(CCCC(=O)NCCCCC#C)C

Name:

N-(hex-5-yn-1-yl)hexanamide

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).