Info
| ID | 4842 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | 3b |
| SMILES | Cn1c(-c2[c-]ccs2)nc2ccccc21.Cn1c(-c2[c-]ccs2)nc2ccccc21.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 |
TUCAN
C42H28IrN8S2/(1-43)(2-42)(3-31)(4-40)(5-33)(6-32)(7-47)(8-35)(9-39)(10-51)(11-51)(12-36)(13-44)(14-37)(15-54)(16-38)(17-51)(18-48)(19-67)(20-34)(21-52)(22-68)(23-53)(24-52)(25-46)(26-45)(27-41)(28-52)(29-32)(29-69)(30-34)(30-70)(31-45)(31-56)(32-67)(33-35)(33-38)(34-68)(35-42)(36-41)(36-55)(37-40)(37-49)(38-60)(39-44)(39-48)(40-54)(41-45)(42-59)(43-46)(43-50)(44-47)(46-53)(47-63)(48-64)(49-57)(49-58)(50-61)(50-62)(51-73)(52-74)(53-76)(54-72)(55-56)(55-77)(56-71)(57-62)(57-71)(58-61)(58-72)(59-60)(59-73)(60-75)(61-76)(62-77)(63-64)(63-74)(64-78)(65-69)(65-73)(65-75)(66-70)(66-74)(66-78)(67-79)(68-80)(69-79)(70-80)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| RD | 0.046 | — | 10.1016/j.cbi.2022.109955 | 2022 |
| HeLa | 0.31 | 0.02 | 10.1016/j.cbi.2022.109955 | 2022 |
| MRC-5 | 0.8 | — | 10.1016/j.cbi.2022.109955 | 2022 |
| HeLa | 1.1 | 0.016 | 10.1039/C9QI00811J | 2019 |
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.