Info
| ID | 4619 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "S": 1, "P": 1} |
| Abbreviation | Ru3 |
| SMILES | Nc1cc(N)nc([S-])n1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C50H41N6OP2RuS/(1-42)(2-45)(3-43)(4-46)(5-47)(6-64)(7-51)(8-66)(9-54)(10-65)(11-52)(12-44)(13-60)(14-56)(15-68)(16-71)(17-53)(18-55)(19-63)(20-58)(21-59)(22-67)(23-61)(24-57)(25-70)(26-62)(27-69)(28-75)(29-77)(30-49)(31-50)(32-48)(33-72)(34-74)(35-76)(36-73)(37-78)(38-92)(39-92)(40-93)(41-93)(42-44)(42-46)(43-51)(43-85)(44-88)(45-61)(45-87)(46-47)(47-60)(48-50)(48-79)(49-50)(49-77)(51-65)(52-54)(52-85)(53-56)(53-86)(54-65)(55-57)(55-71)(56-75)(57-62)(58-68)(58-86)(59-61)(59-69)(60-88)(62-83)(63-64)(63-90)(64-66)(66-67)(67-70)(68-75)(69-84)(70-90)(71-89)(72-76)(72-80)(73-76)(73-78)(74-81)(74-82)(77-95)(78-96)(79-80)(79-95)(80-96)(81-92)(81-94)(82-93)(82-97)(83-89)(83-98)(84-87)(84-98)(85-100)(86-100)(87-100)(88-99)(89-99)(90-99)(91-94)(91-97)(91-101)(94-102)(95-102)(96-102)(97-102)(98-102)(100-102)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-10A | 2.1 | — | 10.1016/j.jinorgbio.2023.11220... | 2023 |
| MDA-MB-231 | 2.2 | — | 10.1016/j.jinorgbio.2023.11220... | 2023 |
| A549 | 4.7 | — | 10.1016/j.jinorgbio.2023.11220... | 2023 |
| MRC-5 | 8.8 | — | 10.1016/j.jinorgbio.2023.11220... | 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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