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Complex #1200 — Ru(2) [Ru2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1200
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu2
SMILESCn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1

TUCAN

C35H36N12Ru/(1-55)(2-38)(3-49)(4-49)(5-49)(6-50)(7-53)(8-44)(9-54)(10-37)(11-43)(12-67)(13-50)(14-39)(15-45)(16-68)(17-56)(18-57)(19-58)(20-50)(21-51)(22-69)(23-40)(24-62)(25-51)(26-59)(27-41)(28-51)(29-60)(30-42)(31-52)(32-52)(33-61)(34-52)(35-70)(36-73)(37-44)(37-47)(38-40)(38-46)(39-42)(39-46)(40-41)(41-42)(43-45)(43-48)(44-55)(45-59)(46-71)(47-64)(47-65)(48-63)(48-66)(49-74)(50-75)(51-76)(52-77)(53-54)(53-78)(54-74)(55-79)(56-57)(56-80)(57-75)(58-60)(58-82)(59-72)(60-76)(61-62)(61-77)(62-83)(63-64)(63-72)(64-79)(65-66)(65-81)(66-73)(67-74)(67-78)(68-75)(68-80)(69-76)(69-82)(70-77)(70-83)(71-73)(71-81)(78-84)(79-84)(80-84)(81-84)(82-84)(83-84)

Measurements (15)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa20— 10.1016/j.molstruc.2012.03.023 2012
HepG222— 10.1007/s00775-016-1391-6 2016
HepG224— 10.1016/j.molstruc.2012.03.023 2012
HeLa24— 10.1016/j.jinorgbio.2015.12.01... 2016
BEL-740230— 10.1016/j.molstruc.2012.03.023 2012
A54936— 10.1016/j.jinorgbio.2015.12.01... 2016
A37538— 10.1007/s00775-016-1391-6 2016
MCF-740— 10.1016/j.jinorgbio.2015.12.01... 2016
MCF-740— 10.1016/j.molstruc.2012.03.023 2012
HepG244— 10.1016/j.jinorgbio.2015.12.01... 2016
A54950— 10.1007/s00775-016-1391-6 2016
HeLa65— 10.1007/s00775-016-1391-6 2016
HBE1.5e+02— 10.1016/j.jinorgbio.2015.12.01... 2016
MRC-5—— 10.1007/s00775-016-1391-6 2016
Hs68—— 10.1007/s00775-016-1391-6 2016

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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