BioLiP

PDB

BioLiP

PDB CCD ID:

YDM

Number of entries in BioLiP:

Chemical formula:

C15 H17 N O

InChI:

InChI=1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3

InChIKey:

MPPQGYCZBNURDG-UHFFFAOYSA-N

SMILES:

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

Name:

1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;
acrylodan, bound form

ZINC:

ZINC000000057590

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).