Info
| ID | 4972 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | pbtIrSS |
| SMILES | Cn1ccn(Cn2ccn(C)c2=S)c1=S.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1 |
TUCAN
C35H28IrN6S4/(1-35)(2-33)(3-31)(4-34)(5-43)(6-38)(7-57)(8-57)(9-51)(10-53)(11-49)(12-49)(13-49)(14-52)(15-54)(16-50)(17-50)(18-39)(19-37)(20-36)(21-44)(22-40)(23-50)(24-45)(25-32)(26-41)(27-42)(28-46)(29-31)(29-47)(30-41)(30-48)(31-33)(32-33)(32-37)(34-35)(34-38)(35-58)(36-41)(36-42)(37-47)(38-43)(39-45)(39-46)(40-46)(40-59)(42-44)(43-55)(44-48)(45-56)(47-60)(48-61)(49-64)(50-65)(51-53)(51-66)(52-54)(52-67)(53-64)(54-65)(55-58)(55-68)(56-59)(56-69)(57-66)(57-67)(58-72)(59-73)(60-68)(60-72)(61-69)(61-73)(62-64)(62-66)(62-70)(63-65)(63-67)(63-71)(68-74)(69-74)(72-74)(73-74)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-468 | 0.89 | — | 10.1002/ange.202015009 | 2021 |
| MDA-MB-231 | 1.3 | — | 10.1002/ange.202015009 | 2021 |
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.