BioLiP

PDB

BioLiP

PDB CCD ID:

781

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O2

InChI:

InChI=1S/C13H13NO2/c1-2-13(16)14-10-6-7-11-9(8-10)4-3-5-12(11)15/h3-8,15H,2H2,1H3,(H,14,16)

InChIKey:

IPFXHEAWAKCIPJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCC(=O)Nc1ccc2c(c1)cccc2O
ACDLabs 12.01	O=C(Nc2cc1cccc(O)c1cc2)CC
CACTVS 3.385	CCC(=O)Nc1ccc2c(O)cccc2c1

Name:

N-(5-hydroxynaphthalen-2-yl)propanamide;
N-(5-hydroxynaphthalen-2-yl)prop-2-enamide, bound form

ZINC:

ZINC000263620562

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).