BioLiP

PDB

BioLiP

PDB CCD ID:

8P1

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O

InChI:

InChI=1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2

InChIKey:

BEVVUJBVEXJGKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(cc1N)CCCC2=O
CACTVS 3.385	Nc1ccc2C(=O)CCCc2c1

Name:

6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one

ZINC:

ZINC000004271926

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).