Info
| ID | 879 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru-complex 4 |
| SMILES | Clc1cnc2c(c1)c1ccccc1c1cc(Cl)cnc12.Clc1cnc2c(c1)c1ccccc1c1cc(Cl)cnc12.Clc1cnc2c(c1)c1ccccc1c1cc(Cl)cnc12 |
TUCAN
C48H24Cl6N6Ru/(1-55)(2-26)(3-28)(4-25)(5-27)(6-56)(7-30)(8-29)(9-31)(10-32)(11-57)(12-33)(13-36)(14-35)(15-34)(16-58)(17-38)(18-59)(19-39)(20-37)(21-41)(22-60)(23-40)(24-42)(25-28)(25-30)(26-43)(26-67)(27-46)(27-68)(28-44)(29-30)(29-45)(31-32)(31-48)(32-38)(33-47)(33-69)(34-49)(34-70)(35-36)(35-41)(36-50)(37-38)(37-53)(39-51)(39-71)(40-41)(40-54)(42-52)(42-72)(43-44)(43-61)(44-45)(45-46)(46-62)(47-48)(47-63)(48-53)(49-50)(49-64)(50-54)(51-53)(51-65)(52-54)(52-66)(55-67)(55-73)(56-68)(56-74)(57-69)(57-75)(58-70)(58-76)(59-71)(59-77)(60-72)(60-78)(61-62)(61-73)(62-74)(63-65)(63-75)(64-66)(64-76)(65-77)(66-78)(67-79)(68-80)(69-81)(70-82)(71-83)(72-84)(73-85)(74-85)(75-85)(76-85)(77-85)(78-85)
Measurements (9)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HEK293T | — | 2.3 | 10.1016/j.bioorg.2022.106044 | 2022 |
| A549 | — | 4.2 | 10.1016/j.bioorg.2022.106044 | 2022 |
| HeLa | — | 1.1 | 10.1016/j.bioorg.2022.106044 | 2022 |
| TiOSE4 | — | 11 | 10.1016/j.bioorg.2022.106044 | 2022 |
| HEK293T | — | 0.62 | 10.1016/j.bioorg.2022.106044 | 2022 |
| A549 | — | 1.9 | 10.1016/j.bioorg.2022.106044 | 2022 |
| HeLa | — | 0.1 | 10.1016/j.bioorg.2022.106044 | 2022 |
| HL60 | — | 3 | 10.1016/j.bioorg.2022.106044 | 2022 |
| TiOSE4 | — | 1.9 | 10.1016/j.bioorg.2022.106044 | 2022 |
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.
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