BioLiP

PDB

BioLiP

PDB CCD ID:

H7C

Number of entries in BioLiP:

Chemical formula:

C20 H22 N2 O2 S

InChI:

InChI=1S/C20H22N2O2S/c1-23-13-3-5-18-16(11-13)20(25-15-7-9-21-10-8-15)17-12-14(24-2)4-6-19(17)22-18/h3-6,11-12,15,21H,7-10H2,1-2H3

InChIKey:

ZXEZPSYSBIFZGE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4
CACTVS 3.385	COc1ccc2nc3ccc(OC)cc3c(SC4CCNCC4)c2c1

Name:

2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine

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).