Info
| ID | 5709 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 2} |
| Abbreviation | Ir-MMB |
| SMILES | Cc1ccnc(-c2cc(COC(=O)c3ccccc3Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C55H38IrN6O6S/(1-39)(2-65)(3-49)(4-45)(5-46)(6-59)(7-60)(8-54)(9-80)(10-48)(11-52)(12-50)(13-43)(14-42)(15-66)(16-44)(17-68)(18-39)(19-39)(20-81)(21-90)(22-56)(23-64)(24-51)(25-63)(26-55)(27-57)(28-67)(29-53)(30-69)(31-90)(32-70)(33-58)(34-61)(35-47)(36-72)(37-71)(38-62)(39-75)(40-48)(40-74)(41-68)(41-79)(42-43)(42-82)(43-73)(44-45)(44-73)(45-46)(46-49)(47-51)(47-78)(48-50)(49-83)(50-65)(51-86)(52-60)(52-84)(53-75)(53-81)(54-55)(54-85)(55-92)(56-70)(56-77)(57-76)(57-80)(58-75)(58-89)(59-65)(59-74)(60-66)(61-67)(61-79)(62-67)(62-68)(63-66)(63-78)(64-70)(64-72)(69-76)(69-87)(71-85)(71-88)(72-93)(73-83)(74-82)(76-90)(77-91)(77-93)(78-84)(79-86)(80-98)(81-99)(82-96)(83-96)(84-97)(85-94)(86-97)(87-89)(87-98)(88-92)(88-95)(89-99)(90-105)(91-100)(91-105)(92-106)(93-106)(94-103)(94-104)(95-101)(95-102)(96-107)(97-107)(98-107)(99-107)(105-107)(106-107)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.67 | 0.011 | 10.1007/s00775-022-01957-0 | 2022 |
| MCF-7 | 0.91 | 0.016 | 10.1007/s00775-022-01957-0 | 2022 |
| 143B | 1 | 0.013 | 10.1007/s00775-022-01957-0 | 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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.