BioLiP

PDB

BioLiP

PDB CCD ID:

O3K

Number of entries in BioLiP:

Chemical formula:

C12 H24 Br N O

InChI:

InChI=1S/C12H24BrNO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15)

InChIKey:

RZTGBAJAVREPOB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCCCCCCCCNC(=O)CBr

Name:

2-bromanyl-N-decyl-ethanamide;
2-bromo-N-decyl acetamide (C10)

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).