BioLiP

PDB

BioLiP

PDB CCD ID:

J5V

Number of entries in BioLiP:

Chemical formula:

C11 H11 N O

InChI:

InChI=1S/C11H11NO/c1-10(13)12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3,(H,12,13)

InChIKey:

MEDMJWLHQZDCBX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(c1ccccc1)#CCNC(=O)C
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)NCC#Cc1ccccc1

Name:

N-(3-phenylprop-2-yn-1-yl)acetamide

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).