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Complex #1599 — Ru(2) [TM34]

2D Structure

Structure
⬇ MOL V3000

Info

ID1599
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2, "P": 1}
AbbreviationTM34
SMILESc1cc[cH-]c1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C33H28N2PRu/(1-55)(2-56)(3-29)(4-39)(5-31)(6-40)(7-41)(8-30)(9-32)(10-33)(11-44)(12-43)(13-37)(14-38)(15-45)(16-42)(17-46)(18-47)(19-49)(20-48)(21-50)(22-34)(23-51)(24-53)(25-35)(26-54)(27-36)(28-52)(29-30)(29-59)(30-31)(31-37)(32-33)(32-34)(33-35)(34-36)(35-36)(37-39)(38-40)(38-42)(39-59)(40-60)(41-45)(41-60)(42-45)(43-44)(43-55)(44-51)(46-47)(46-61)(47-48)(48-49)(49-50)(50-61)(51-57)(52-53)(52-58)(53-54)(54-56)(55-62)(56-63)(57-58)(57-62)(58-63)(59-64)(60-64)(61-64)(62-65)(63-65)(64-65)

Measurements (16)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27800.019— 10.1016/j.jinorgbio.2013.07.00... 2013
A2780cisR0.07— 10.1016/j.jinorgbio.2012.06.01... 2012
MDA-MB-2310.072— 10.1016/j.jinorgbio.2013.07.00... 2013
A27800.14— 10.1016/j.jinorgbio.2012.06.01... 2012
MCF-70.29— 10.1016/j.jinorgbio.2012.06.01... 2012
MCF-70.29— 10.1016/j.jinorgbio.2013.07.00... 2013
A27800.5— 10.1017/s143192761300175x 2013
PC-30.54— 10.1016/j.jinorgbio.2012.06.01... 2012
MDA-MB-2311.5— 10.1017/s143192761300175x 2013
A27802.2— 10.1016/j.jinorgbio.2015.06.01... 2015
V794.2— 10.1016/j.jinorgbio.2012.06.01... 2012
MDA-MB-2315.8— 10.1016/j.jinorgbio.2015.06.01... 2015
MCF-75.9— 10.1016/j.jinorgbio.2015.06.01... 2015
A278012— 10.1007/s00775-014-1120-y 2014
MCF-717— 10.1007/s00775-014-1120-y 2014
MDA-MB-23124— 10.1007/s00775-014-1120-y 2014

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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