BioLiP

PDB

BioLiP

PDB CCD ID:

A1AVV

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O

InChI:

InChI=1S/C16H14N2O/c1-12(19)18-16-9-7-13(8-10-16)5-6-14-3-2-4-15(17)11-14/h2-4,7-11H,17H2,1H3,(H,18,19)

InChIKey:

GDYCMPAYKROXHM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)C#Cc2cccc(c2)N
ACDLabs 12.01	O=C(C)Nc1ccc(cc1)C#Cc1cccc(N)c1
CACTVS 3.385	CC(=O)Nc1ccc(cc1)C#Cc2cccc(N)c2

Name:

N-{4-[(3-aminophenyl)ethynyl]phenyl}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).