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Complex #74 — Ru(2) [Ru1]

2D Structure

Structure
⬇ MOL V3000

Info

ID74
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu1
SMILESc1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C41H27N9Ru/(1-36)(2-58)(3-59)(4-41)(5-60)(6-47)(7-29)(8-54)(9-37)(10-28)(11-30)(12-31)(13-44)(14-38)(15-43)(16-32)(17-34)(18-35)(19-55)(20-39)(21-56)(22-33)(23-40)(24-42)(25-46)(26-45)(27-57)(28-29)(28-31)(29-61)(30-37)(30-38)(31-54)(32-36)(32-41)(33-35)(33-50)(34-35)(34-48)(36-52)(37-62)(38-55)(39-43)(39-56)(40-47)(40-50)(41-53)(42-45)(42-57)(43-44)(44-64)(45-46)(46-65)(47-52)(48-49)(48-63)(49-50)(49-51)(51-52)(51-53)(53-67)(54-72)(55-73)(56-74)(57-76)(58-66)(58-77)(59-60)(59-69)(60-77)(61-65)(61-72)(62-64)(62-73)(63-67)(63-75)(64-74)(65-76)(66-68)(66-69)(67-70)(68-71)(68-75)(70-71)(72-78)(73-78)(74-78)(75-78)(76-78)(77-78)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-79011.1e+02 10.1002/anie.202006089 2020
A5491.3e+02 10.1002/anie.202006089 2020
HeLa1.4e+02 10.1002/anie.202006089 2020
SGC-7901/DDP1.6e+02 10.1002/anie.202006089 2020
A549cisR1.8e+02 10.1002/anie.202006089 2020
BEAS-2B2e+02 10.1002/anie.202006089 2020
LO2 10.1002/anie.202006089 2020
HepG2 10.1002/anie.202006089 2020
BEL-7402 10.1002/anie.202006089 2020

🧬 Cell Death Types (1)

Necroptosis high
«Ru7 effectively inhibits the endogenous activities of topoisomerase (topo) I and II and kills cancer cells by necroptosis.»

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
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