BioLiP

PDB

BioLiP

PDB CCD ID:

8TP

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O

InChI:

InChI=1S/C10H14N2O/c1-9(13)11-7-8-12-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,11,13)

InChIKey:

JOWPOHZYWVVXGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(C(C)=O)CCNc1ccccc1
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)NCCNc1ccccc1

Name:

N-[2-(phenylamino)ethyl]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).