Complex #2322 — BiometalDB

2D Structure

Info

ID	2322
Metal	Ru
Oxidation state	2
Charge	0
Donor atoms	{"O": 1, "N": 1}
Abbreviation	6
SMILES	O=C([O-])c1ccccn1.[Cl-].c1ccccc1

TUCAN

C12ClNO2Ru/(1-2)(1-3)(2-4)(3-7)(4-8)(5-6)(5-9)(6-10)(7-8)(9-11)(10-13)(11-12)(11-13)(12-14)(12-15)

Measurements (13)

Cell line	IC₅₀ dark (µM)	IC₅₀ light (µM)	DOI	Year
HCT-116	28	—	10.1016/j.jorganchem.2019.1209...	2019
HeLa	39	—	10.1016/j.jorganchem.2019.1209...	2019
MRC-5	41	—	10.1016/j.jorganchem.2019.1209...	2019
MDA-MB-453	68	—	10.1016/j.jorganchem.2019.1209...	2019
A375	77	—	10.1016/j.jorganchem.2019.1209...	2019
PC-3	1.3e+02	—	10.1016/j.jorganchem.2019.1209...	2019
A549	1.4e+02	—	10.1016/j.jorganchem.2019.1209...	2019
HTB117	1.6e+02	—	10.1016/j.jorganchem.2019.1209...	2019
A2780	—	—	10.1039/b918902e	2009
A2780cisR	—	—	10.1039/b918902e	2009
LS 174T	—	—	10.1039/b918902e	2009
MCF-7	—	—	10.1039/b918902e	2009
LoVo	—	—	10.1039/b918902e	2009

Source-assisted 2D generator

Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.

experimental validation surface

Structural / stereo variant Coordination bonds Organic stereo annotations Loading source metadata…

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