BioLiP

PDB

BioLiP

PDB CCD ID:

ISK

Number of entries in BioLiP:

Chemical formula:

C7 H9 Br N2 O2

InChI:

InChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11)

InChIKey:

VNYCHSVZFAMMQB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)NCC(=O)NCC#CBr

Name:

2-acetamido-N-(3-bromanylprop-2-ynyl)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).