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Complex #1536 — Ru(2) [Complex 1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1536
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationComplex 1
SMILESN#Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H27N9Ru/(1-31)(2-40)(3-35)(4-53)(5-29)(6-34)(7-54)(8-28)(9-30)(10-36)(11-32)(12-39)(13-41)(14-43)(15-42)(16-58)(17-57)(18-55)(19-37)(20-38)(21-47)(22-33)(23-45)(24-44)(25-46)(26-56)(27-70)(28-29)(28-53)(29-31)(30-35)(30-36)(31-59)(32-38)(32-44)(33-47)(33-49)(34-39)(34-48)(35-62)(36-54)(37-45)(37-46)(38-55)(39-51)(40-41)(40-50)(41-58)(42-43)(42-48)(43-51)(44-64)(45-56)(46-65)(47-57)(48-67)(49-61)(49-63)(50-60)(50-66)(51-52)(52-68)(53-71)(54-72)(55-74)(56-75)(57-76)(58-69)(59-62)(59-71)(60-63)(60-69)(61-66)(61-73)(62-72)(63-76)(64-65)(64-74)(65-75)(66-70)(67-70)(67-73)(71-77)(72-77)(73-77)(74-77)(75-77)(76-77)

Measurements (11)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5495— 10.1080/01480545.2019.1589492 2019
A3758.1— 10.1016/j.jinorgbio.2018.01.01... 2018
A54928— 10.1016/j.jinorgbio.2018.01.01... 2018
BEAS-2B32— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa45— 10.1016/j.jinorgbio.2018.01.01... 2018
MCF-764— 10.1016/j.jinorgbio.2018.01.01... 2018
A37585— 10.1016/j.jinorgbio.2018.01.01... 2018
A5491.6e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
BEAS-2B2.6e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa2.8e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
A549—— 10.1080/01480545.2019.1589492 2019

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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