BioLiP

PDB

BioLiP

PDB CCD ID:

IIY

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O2

InChI:

InChI=1S/C7H10N2O2/c1-3-4-8-7(11)5-9-6(2)10/h3-4H,1,5H2,2H3,(H,9,10)/b8-4+

InChIKey:

DSHANFFIVIVYBG-XBXARRHUSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)NCC(=O)N=CC=C
OpenEye OEToolkits 2.0.7	CC(=O)NCC(=O)/N=C/C=C

Name:

(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide

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).