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Complex #2 — Ru(2) [Ru-Cur]

2D Structure

Structure
⬇ MOL V3000

Info

ID2
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1}
AbbreviationRu-Cur
SMILESCOc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C31ClO6Ru/(1-21)(2-22)(3-21)(4-9)(4-20)(5-6)(5-19)(6-22)(7-10)(7-23)(8-12)(8-20)(9-27)(10-30)(11-18)(11-19)(12-28)(13-15)(13-29)(14-20)(14-26)(15-23)(16-23)(16-31)(17-28)(17-29)(18-22)(19-21)(24-36)(25-37)(26-27)(26-36)(27-33)(28-32)(29-35)(30-31)(30-34)(31-37)

Measurements (18)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11614— 10.1021/jm200912j 2012
HCT-11614— 10.1016/j.jinorgbio.2016.06.00... 2016
HeLa15— 10.1021/acs.inorgchem.2c01005 2022
HCT-11616— 10.1021/acs.inorgchem.2c01005 2022
HeLa16— 10.1039/c8cc01584h 2018
HepG217— 10.1021/acs.inorgchem.2c01005 2022
MCF-720— 10.1021/jm200912j 2012
MCF-720— 10.1016/j.jinorgbio.2016.06.00... 2016
A278023— 10.1021/jm200912j 2012
A278023— 10.1016/j.jinorgbio.2016.06.00... 2016
CP827— 10.1021/jm200912j 2012
U-87 MG29— 10.1021/jm200912j 2012
HepG247— 10.1002/aoc.3685 2016
HEK293T49— 10.1002/aoc.3685 2016
HeLa52— 10.1002/aoc.3685 2016
U-87 MG62— 10.1016/j.jinorgbio.2016.06.00... 2016
A54962— 10.1021/jm200912j 2012
A54963— 10.1016/j.jinorgbio.2016.06.00... 2016

🧬 Cell Death Types (1)

Apoptosis medium
«the addition of TB-Ru-Cur to HepG2 cells seems to harm the cell integrity, where the extracellular membrane is 'blebbing' up, suggesting that cells undergo apoptosis and necrosis»

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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