Info
| ID | 1101 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 2, "P": 2} |
| Abbreviation | (3) |
| SMILES | O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(-c2ccccn2)nc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C45H35N2O3P2Ru/(1-39)(2-46)(3-38)(4-41)(5-36)(6-37)(7-40)(8-42)(9-59)(10-60)(11-48)(12-47)(13-80)(14-49)(15-51)(16-80)(17-43)(18-44)(19-50)(20-55)(21-57)(22-52)(23-53)(24-58)(25-69)(26-56)(27-45)(28-54)(29-70)(30-63)(31-61)(32-62)(33-65)(34-66)(35-64)(36-38)(36-76)(37-41)(37-76)(38-39)(39-41)(40-42)(40-77)(42-46)(43-44)(43-45)(44-71)(45-69)(46-48)(47-48)(47-77)(49-51)(49-78)(50-51)(50-55)(52-55)(52-78)(53-57)(53-79)(54-57)(54-58)(56-58)(56-79)(59-60)(59-68)(60-63)(61-62)(61-70)(62-65)(63-64)(64-67)(65-72)(66-74)(66-75)(67-68)(67-73)(68-75)(69-81)(70-82)(71-72)(71-81)(72-82)(73-74)(73-84)(74-83)(75-85)(76-86)(77-86)(78-87)(79-87)(80-86)(80-87)(81-88)(82-88)(86-88)(87-88)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PC-3 | 1.8 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| DU-145 | 1.9 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| HepG2 | 1.9 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| Caco-2 | 2.6 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| MDA-MB-231 | 3.3 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| FGH | 4.3 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| A549 | 4.8 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| HUVEC | 8.1 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
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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