BioLiP

PDB

BioLiP

PDB CCD ID:

JJY

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O2

InChI:

InChI=1S/C13H13NO2/c15-12-5-1-3-10-8(12)7-9-11(14-10)4-2-6-13(9)16/h7H,1-6H2

InChIKey:

ANTYWKFHKPMJLE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c2c(nc3c1C(=O)CCC3)CCCC2=O
CACTVS 3.385	O=C1CCCc2nc3CCCC(=O)c3cc12
ACDLabs 12.01	C2CC(c3cc1C(=O)CCCc1nc3C2)=O

Name:

3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione

ZINC:

ZINC000000083459

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).