BioLiP

PDB

BioLiP

PDB CCD ID:

PZ5

Number of entries in BioLiP:

Chemical formula:

C26 H26 N3

InChI:

InChI=1S/C26H25N3/c1-2-3-4-5-9-16-29-25-18-21(28)13-15-23(25)22-14-12-20(27)17-24(22)26(29)19-10-7-6-8-11-19/h1,6-8,10-15,17-18,28H,3-5,9,16,27H2/p+1

InChIKey:

WJXZOVZRCNSPKF-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4ccccc4)c2c1
OpenEye OEToolkits 2.0.4	C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N

Name:

5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine

ZINC:

ZINC000263621177

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).