BioLiP

PDB

BioLiP

PDB CCD ID:

JPY

Number of entries in BioLiP:

Chemical formula:

C19 H15 N O

InChI:

InChI=1S/C19H15NO/c1-12(21)20-11-16-8-7-15-6-5-13-3-2-4-14-9-10-17(16)19(15)18(13)14/h2-10H,11H2,1H3,(H,20,21)

InChIKey:

IGDIETIXWIPXQF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NCc1ccc2ccc3cccc4ccc1c2c34
ACDLabs 12.01	O=C(NCc4ccc2ccc1cccc3c1c2c4cc3)C
OpenEye OEToolkits 1.7.6	CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4

Name:

N-(pyren-1-ylmethyl)acetamide

ZINC:

ZINC000214633224

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).