Info
| ID | 4910 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ir3 |
| SMILES | Brc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2nsnc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C49H29BrIrN8S/(1-34)(2-37)(3-36)(4-41)(5-33)(6-40)(7-39)(8-52)(9-32)(10-47)(11-48)(12-55)(13-66)(14-43)(15-46)(16-42)(17-45)(18-65)(19-35)(20-54)(21-49)(22-68)(23-44)(24-53)(25-67)(26-50)(27-51)(28-38)(29-80)(30-33)(30-59)(31-50)(31-62)(32-34)(32-36)(33-39)(34-56)(35-38)(35-40)(36-41)(37-39)(37-47)(38-46)(40-57)(41-60)(42-60)(42-65)(43-44)(43-58)(44-66)(45-50)(45-52)(46-61)(47-59)(48-54)(48-63)(49-55)(49-64)(51-52)(51-62)(53-61)(53-67)(54-78)(55-68)(56-60)(56-69)(57-61)(57-71)(58-70)(58-76)(59-69)(62-71)(63-74)(63-77)(64-72)(64-73)(65-83)(66-79)(67-84)(68-86)(69-83)(70-72)(70-80)(71-84)(72-85)(73-76)(73-86)(74-75)(74-81)(75-78)(75-82)(76-79)(77-80)(77-85)(78-88)(81-87)(82-87)(83-89)(84-89)(85-89)(86-89)(87-89)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | 22 | — | 10.1016/j.jinorgbio.2021.11155... | 2021 |
| A549 | 24 | — | 10.1016/j.jinorgbio.2021.11155... | 2021 |
| HepG2 | 66 | — | 10.1016/j.jinorgbio.2021.11155... | 2021 |
| HeLa | 79 | — | 10.1016/j.jinorgbio.2021.11155... | 2021 |
| LO2 | 84 | — | 10.1016/j.jinorgbio.2021.11155... | 2021 |
| BEL-7402 | 96 | — | 10.1016/j.jinorgbio.2021.11155... | 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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