BioLiP

PDB

BioLiP

PDB CCD ID:

XA5

Number of entries in BioLiP:

Chemical formula:

C30 H26 N4

InChI:

InChI=1S/C30H26N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1-8,11-18H,9-10,19-20H2,(H,31,33)(H,32,34)

InChIKey:

MKFRLGCMWOIRSO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C(CCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c3ccccc3n2)NCCCCNc4c5ccccc5nc6c4cccc6

Name:

N,N'-di(acridin-9-yl)butane-1,4-diamine

ChEMBL:

CHEMBL38642

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).