Info
| ID | 5423 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ir3 |
| SMILES | [c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc2[nH]c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4)c3)nc2c1 |
TUCAN
C42H28IrN8S2/(1-67)(2-31)(3-54)(4-47)(5-34)(6-39)(7-37)(8-43)(9-42)(10-35)(11-41)(12-40)(13-46)(14-36)(15-33)(16-32)(17-53)(18-55)(19-50)(20-38)(21-44)(22-45)(23-48)(24-56)(25-49)(26-68)(27-74)(28-73)(29-39)(29-69)(30-48)(30-70)(31-36)(31-61)(32-36)(32-37)(33-38)(33-64)(34-35)(34-55)(35-41)(37-58)(38-46)(39-67)(40-49)(40-50)(41-59)(42-52)(42-54)(43-52)(43-62)(44-51)(44-57)(45-46)(45-63)(47-51)(47-53)(48-68)(49-60)(50-56)(51-65)(52-66)(53-72)(54-76)(55-77)(56-78)(57-62)(57-72)(58-61)(58-74)(59-69)(59-77)(60-70)(60-78)(61-71)(62-76)(63-64)(63-75)(64-73)(65-73)(65-75)(66-71)(66-74)(67-79)(68-80)(69-79)(70-80)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 0.72 | — | 10.1007/s00775-020-01783-2 | 2020 |
| A549 | 1.1 | — | 10.1007/s00775-020-01783-2 | 2020 |
| HeLa | 2.3 | — | 10.1007/s00775-020-01783-2 | 2020 |
| U-87 MG | 5.6 | — | 10.1007/s00775-020-01783-2 | 2020 |
| LO2 | 5.8 | — | 10.1007/s00775-020-01783-2 | 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.