BioLiP

PDB

BioLiP

PDB CCD ID:

YDQ

Number of entries in BioLiP:

Chemical formula:

C14 H14 Br N O

InChI:

InChI=1S/C14H14BrNO/c1-16(2)13-6-5-10-7-12(14(17)9-15)4-3-11(10)8-13/h3-8H,9H2,1-2H3

InChIKey:

ZEIHZWQYRTVVMA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN(C)c1ccc2cc(ccc2c1)C(=O)CBr
ACDLabs 12.01	BrCC(=O)c1ccc2cc(ccc2c1)N(C)C

Name:

2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one;
BADAN

ZINC:

ZINC000002565842

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).