Info
| ID | 586 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 5} |
| Abbreviation | Ru1 |
| SMILES | [O-]c1cccc2cccnc12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C57H38N5ORu/(1-42)(2-40)(3-44)(4-48)(5-43)(6-55)(7-39)(8-47)(9-41)(10-85)(11-49)(12-87)(13-88)(14-45)(15-53)(16-50)(17-56)(18-46)(19-52)(20-51)(21-58)(22-60)(23-61)(24-54)(25-63)(26-69)(27-59)(28-62)(29-57)(30-70)(31-64)(32-89)(33-65)(34-67)(35-86)(36-71)(37-68)(38-66)(39-46)(39-75)(40-42)(40-43)(41-72)(41-85)(42-44)(43-48)(44-74)(45-73)(45-87)(46-78)(47-49)(47-59)(48-74)(49-76)(50-54)(50-76)(51-69)(51-82)(52-57)(52-79)(53-77)(53-88)(54-59)(55-58)(55-68)(56-80)(56-89)(57-62)(58-95)(60-64)(60-79)(61-65)(61-81)(62-64)(63-67)(63-81)(65-70)(66-71)(66-86)(67-70)(68-84)(69-83)(71-84)(72-74)(72-75)(73-76)(73-78)(75-90)(77-79)(77-82)(78-91)(80-81)(80-83)(82-92)(83-94)(84-93)(85-97)(86-96)(87-98)(88-99)(89-100)(90-91)(90-97)(91-98)(92-94)(92-99)(93-95)(93-96)(94-100)(95-101)(96-102)(97-102)(98-102)(99-102)(100-102)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 2 | — | 10.1016/j.jinorgbio.2023.11236... | 2023 |
| MCF-7 | 2.3 | — | 10.1016/j.jinorgbio.2023.11236... | 2023 |
| LO2 | 2.7 | — | 10.1016/j.jinorgbio.2023.11236... | 2023 |
| HepG2 | 3.6 | — | 10.1016/j.jinorgbio.2023.11236... | 2023 |
| A549cisR | 3.8 | — | 10.1016/j.jinorgbio.2023.11236... | 2023 |
| A549 | 4.2 | — | 10.1016/j.jinorgbio.2023.11236... | 2023 |
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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