BioLiP

PDB

BioLiP

PDB CCD ID:

QOJ

Number of entries in BioLiP:

Chemical formula:

C34 H44 N4

InChI:

InChI=1S/C34H42N4/c35-33-25-15-7-9-19-29(25)37(31-21-13-17-27(31)33)23-11-5-3-1-2-4-6-12-24-38-30-20-10-8-16-26(30)34(36)28-18-14-22-32(28)38/h7-10,15-16,19-20,35-36H,1-6,11-14,17-18,21-24H2/p+2

InChIKey:

MEFIQYBUDHNVHT-UHFFFAOYSA-P

SMILES:

Software	SMILES
CACTVS 3.385	Nc1c2CCCc2[n+](CCCCCCCCCC[n+]3c4CCCc4c(N)c5ccccc35)c6ccccc16
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c3c([n+]2CCCCCCCCCC[n+]4c5ccccc5c(c6c4CCC6)N)CCC3)N
ACDLabs 12.01	Nc1c2ccccc2[n+](CCCCCCCCCC[n+]2c3ccccc3c(N)c3CCCc23)c2CCCc12

Name:

4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium)

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).