Info
| ID | 5337 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir-3 |
| SMILES | [c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3 |
TUCAN
C48H34IrN6/(1-50)(2-47)(3-49)(4-60)(5-37)(6-52)(7-48)(8-46)(9-42)(10-38)(11-40)(12-60)(13-72)(14-43)(15-39)(16-73)(17-59)(18-62)(19-62)(20-59)(21-71)(22-54)(23-61)(24-41)(25-61)(26-74)(27-55)(28-58)(29-56)(30-57)(31-51)(32-45)(33-53)(34-44)(35-42)(35-64)(36-56)(36-70)(37-66)(37-72)(38-47)(38-66)(39-47)(39-48)(40-49)(40-67)(41-54)(41-68)(42-50)(43-50)(43-52)(44-51)(44-53)(45-51)(45-69)(46-69)(46-73)(48-63)(49-71)(52-64)(53-65)(54-74)(55-57)(55-70)(56-58)(57-58)(59-60)(59-80)(60-61)(61-62)(62-82)(63-66)(63-76)(64-76)(65-69)(65-77)(67-75)(67-79)(68-78)(68-81)(70-77)(71-84)(72-85)(73-86)(74-87)(75-81)(75-83)(76-85)(77-86)(78-79)(78-87)(79-84)(80-82)(80-88)(81-88)(82-83)(85-89)(86-89)(87-89)(88-89)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.5 | — | 10.1016/j.inoche.2019.107594 | 2020 |
| A549 | 0.9 | — | 10.1016/j.inoche.2019.107594 | 2020 |
| HepG2 | 0.9 | — | 10.1016/j.inoche.2019.107594 | 2020 |
| NIH-3T3 | 1.5 | — | 10.1016/j.inoche.2019.107594 | 2020 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.