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Complex #400 — Ru(2) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID400
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2a
SMILESO=C(O)c1cc2c(cn1)[nH]c1ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C32H24N6O2Ru/(1-44)(2-45)(3-26)(4-46)(5-27)(6-35)(7-38)(8-33)(9-41)(10-40)(11-25)(12-30)(13-32)(14-28)(15-29)(16-31)(17-39)(18-47)(19-36)(20-37)(21-34)(22-48)(23-57)(24-64)(25-26)(25-49)(26-27)(27-44)(28-30)(28-35)(29-41)(29-53)(30-50)(31-32)(31-38)(32-52)(33-40)(33-43)(34-42)(34-55)(35-45)(36-37)(36-39)(37-54)(38-46)(39-47)(40-41)(42-43)(42-51)(43-53)(44-58)(45-59)(46-60)(47-61)(48-51)(48-62)(49-50)(49-58)(50-59)(51-57)(52-54)(52-60)(53-57)(54-61)(55-56)(55-62)(56-63)(56-64)(58-65)(59-65)(60-65)(61-65)(62-65)(64-65)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
S180 10.1186/s12951-021-00799-3 2021
LLC 10.1186/s12951-021-00799-3 2021
A549 10.1186/s12951-021-00799-3 2021
A549-TAX 10.1186/s12951-021-00799-3 2021
95D 10.1186/s12951-021-00799-3 2021
LO2 10.1186/s12951-021-00799-3 2021

🧬 Cell Death Types (1)

Apoptosis high
«Compared with that in the normal group, cleaved PARP and cleaved caspase 3 expression increased significantly after incubation with 2b; ATM, γ-H2A.X and CDK1 expression decreased in a concentration-de...»

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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