BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C21 H20 N3

InChI:

InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1

InChIKey:

QTANTQQOYSUMLC-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N
CACTVS 3.341	CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4
ACDLabs 10.04	c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CC)N

Name:

ETHIDIUM

ChEMBL:

CHEMBL48166

DrugBank:

DB17031

ZINC:

ZINC000000119632

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).