Info
| ID | 4618 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "S": 1, "P": 2} |
| Abbreviation | Ru2 |
| SMILES | Cn1ccnc1[S-].c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C50H41N4OP2RuS/(1-47)(2-42)(3-43)(4-54)(5-44)(6-49)(7-53)(8-45)(9-48)(10-55)(11-46)(12-66)(13-52)(14-68)(15-58)(16-59)(17-56)(18-67)(19-60)(20-61)(21-69)(22-65)(23-62)(24-72)(25-64)(26-57)(27-63)(28-74)(29-77)(30-50)(31-51)(32-76)(33-73)(34-78)(35-79)(36-75)(37-70)(38-76)(39-76)(40-71)(41-80)(42-47)(42-85)(43-47)(43-49)(44-53)(44-55)(45-48)(45-61)(46-49)(46-85)(48-54)(50-51)(50-77)(51-73)(52-53)(52-86)(54-87)(55-58)(56-57)(56-90)(57-63)(58-86)(59-66)(59-88)(60-68)(60-88)(61-83)(62-69)(62-89)(63-65)(64-72)(64-89)(65-84)(66-67)(67-68)(69-74)(70-71)(70-75)(71-80)(72-74)(73-81)(75-82)(76-92)(77-93)(78-79)(78-94)(79-92)(80-95)(81-82)(81-93)(82-95)(83-87)(83-96)(84-90)(84-96)(85-97)(86-97)(87-97)(88-98)(89-98)(90-98)(91-92)(91-94)(91-99)(93-100)(94-100)(95-100)(96-100)(97-100)(98-100)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 0.1 | — | 10.1016/j.jinorgbio.2023.11220... | 2023 |
| MRC-5 | 0.41 | — | 10.1016/j.jinorgbio.2023.11220... | 2023 |
| A549 | 0.48 | — | 10.1016/j.jinorgbio.2023.11220... | 2023 |
| MCF-10A | 1.2 | — | 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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