BioLiP

PDB

BioLiP

PDB CCD ID:

I6K

Number of entries in BioLiP:

Chemical formula:

C15 H9 Au Cl N9

InChI:

InChI=1S/C15H9N9.Au.ClH/c1-4-16-10(17-5-1)13-22-14(11-18-6-2-7-19-11)24-15(23-13)12-20-8-3-9-21-12;;/h1-9H;;1H/q;+3;/p-1

InChIKey:

OMUSLKQLSBGRIK-UHFFFAOYSA-M

SMILES:

Software	SMILES
CACTVS 3.385	Cl[Au@-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6
CACTVS 3.385	Cl[Au-]12[n+]3cccnc3c4nc(nc(c5nccc[n+]15)[n+]24)c6ncccn6
OpenEye OEToolkits 2.0.7	c1cnc(nc1)c2nc-3[n+]4c(n2)-c5nccc[n+]5[Au-]4([n+]6c3nccc6)Cl

Name:

2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex

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).